ethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine

C85H143N13S — CID 157449963

IUPACethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)N1CCc2ccccc2C1.CC(C)N1Cc2ccccc2C1.CC(C)N1Cc2cccnc2C1.CC(C)N1Cc2cccnc2C1.CC(C)N1Cc2ccncc2C1.CC(C)N1Cc2cncnc2C1.Cc1nc2c(s1)CN(C(C)C)C2
InChIInChI=1S/C12H17N.C11H15N.3C10H14N2.C9H13N3.C9H14N2S.7C2H6/c1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)12-6-9-3-4-11-5-10(9)7-12;2*1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-7(2)12-4-8-3-10-6-11-9(8)5-12;1-6(2)11-4-8-9(5-11)12-7(3)10-8;7*1-2/h3-6,10H,7-9H2,1-2H3;3-6,9H,7-8H2,1-2H3;3*3-5,8H,6-7H2,1-2H3;3,6-7H,4-5H2,1-2H3;6H,4-5H2,1-3H3;7*1-2H3
InChIKeyBSRJRNUKEZLTSU-UHFFFAOYSA-N
MW1379.24 g/mol
LogP20.84
Rot. Bonds7

About ethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine

ethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 157449963) has the molecular formula C85H143N13S and a molecular weight of 1379.24 g/mol. Its IUPAC name is ethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Nameethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID157449963
Molecular FormulaC85H143N13S
Molecular Weight1379.24 g/mol
Exact Mass1378.13
IUPAC Nameethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)N1CCc2ccccc2C1.CC(C)N1Cc2ccccc2C1.CC(C)N1Cc2cccnc2C1.CC(C)N1Cc2cccnc2C1.CC(C)N1Cc2ccncc2C1.CC(C)N1Cc2cncnc2C1.Cc1nc2c(s1)CN(C(C)C)C2
InChIInChI=1S/C12H17N.C11H15N.3C10H14N2.C9H13N3.C9H14N2S.7C2H6/c1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)12-6-9-3-4-11-5-10(9)7-12;2*1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-7(2)12-4-8-3-10-6-11-9(8)5-12;1-6(2)11-4-8-9(5-11)12-7(3)10-8;7*1-2/h3-6,10H,7-9H2,1-2H3;3-6,9H,7-8H2,1-2H3;3*3-5,8H,6-7H2,1-2H3;3,6-7H,4-5H2,1-2H3;6H,4-5H2,1-3H3;7*1-2H3
InChIKeyBSRJRNUKEZLTSU-UHFFFAOYSA-N
XLogP20.84
TPSA100.02 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001379.24
LogP ≤ 520.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze ethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine with MolForge

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Related Compounds

8-Tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine)
CID 159449508
2-[1-(4-Tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole
CID 160970041
Acetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate
CID 139141158
2-[9,10,12,21,22,23,24-Heptakis([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14(19),15,17,21,23-dodecaen-11-yl]-[1,3]thiazolo[4,5-b]pyridine
CID 58978768
2-[3-([1,3]Thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine
CID 59866418
12-Bromo-8,10-dimethyl-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;8,10-dimethyl-12-(3-methyl-4-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;8,10-dimethyl-12-(6-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 90047323
10-[5,8-Dimethyl-2-[2-([1,2,4]triazolo[1,5-a][1,5]naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazin-7-ium-7-yl]-4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene
CID 123648703
4-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine
CID 144415332
2-[4-[5-[10-[2-[4-([1,3]Thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-5-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-7-[4-[5-[4-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]phenyl]pyrimidin-2-yl]-6-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
CID 148272986
2-[3-[5-[4-[2-[4-[7-[6-([1,3]Thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 149230678
2-[2-[2,3,5,6-Tetrakis(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]phenyl]-1,3-benzothiazole
CID 150074736
2-[3-[3,5-Bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 157061883

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of ethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 157449963) is ethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for ethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for ethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine is CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCc2ccccc2C1.CC(C)N1Cc2ccccc2C1.CC(C)N1Cc2cccnc2C1.CC(C)N1Cc2cccnc2C1.CC(C)N1Cc2ccncc2C1.CC(C)N1Cc2cncnc2C1.Cc1nc2c(s1)CN(C(C)C)C2.
What is the InChIKey of ethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is BSRJRNUKEZLTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C11H15N.3C10H14N2.C9H13N3.C9H14N2S.7C2H6/c1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)12-6-9-3-4-11-5-10(9)7-12;2*1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-7(2)12-4-8-3-10-6-11-9(8)5-12;1-6(2)11-4-8-9(5-11)12-7(3)10-8;7*1-2/h3-6,10H,7-9H2,1-2H3;3-6,9H,7-8H2,1-2H3;3*3-5,8H,6-7H2,1-2H3;3,6-7H,4-5H2,1-2H3;6H,4-5H2,1-3H3;7*1-2H3.
What are the key properties of ethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
ethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 1379.24 g/mol, XLogP of 20.84, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 157449963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).