bis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole)

C96H156N14S5 — CID 158012572

IUPACbis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole)
SMILESCC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1nnc(C(C)C)s1
InChIInChI=1S/2C11H17N.3C10H16N2.4C9H15NS.C8H14N2S/c2*1-8(2)10-5-6-11(9(3)4)12-7-10;3*1-7(2)9-5-11-10(8(3)4)12-6-9;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4/h2*5-9H,1-4H3;3*5-8H,1-4H3;4*5-7H,1-4H3;5-6H,1-4H3
InChIKeyFFBMSNUJCLCXAR-UHFFFAOYSA-N
MW1666.74 g/mol
LogP31.17
Rot. Bonds20

About bis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole)

bis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole) (PubChem CID 158012572) has the molecular formula C96H156N14S5 and a molecular weight of 1666.74 g/mol. Its IUPAC name is bis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole).

Molecular Properties

Compound Namebis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole)
PubChem CID158012572
Molecular FormulaC96H156N14S5
Molecular Weight1666.74 g/mol
Exact Mass1665.12
IUPAC Namebis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole)
SMILESCC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1nnc(C(C)C)s1
InChIInChI=1S/2C11H17N.3C10H16N2.4C9H15NS.C8H14N2S/c2*1-8(2)10-5-6-11(9(3)4)12-7-10;3*1-7(2)9-5-11-10(8(3)4)12-6-9;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4/h2*5-9H,1-4H3;3*5-8H,1-4H3;4*5-7H,1-4H3;5-6H,1-4H3
InChIKeyFFBMSNUJCLCXAR-UHFFFAOYSA-N
XLogP31.17
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001666.74
LogP ≤ 531.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze bis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole) with MolForge

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Related Compounds

2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;hexakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;hexakis(2-(2H-naphthalen-2-id-1-yl)-1,3-thiazole);2-pyrazol-2-id-3-ylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 160021307
Pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4,5-dimethylimidazol-3-id-2-yl)pyrazine;pentakis(iridium);2-pyrazol-2-id-3-ylpyrazine;2-pyrazol-2-id-3-ylpyridine;2-pyrazol-2-id-3-yl-1,3-thiazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 160144606
Pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;pentakis(iridium);2-pyrazol-2-id-3-ylpyrazine;2-pyrazol-2-id-3-ylpyridine;2-pyrazol-2-id-3-yl-1,3-thiazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 161118654
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
1-[2-Methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine
CID 90806007
2-[3-[5-[4-[2-(4-Pyridin-2-yl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-2-yl]pyrimidin-2-yl]pyridazin-4-yl]-4-(1,3-thiazol-4-yl)-1,3-thiazole
CID 123502105
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-[4-[6-[5-phenyl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]-2-pyridinyl]phenyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 129301605
2-[1-Piperidin-1-yl-2-pyrazin-2-yl-2-pyridazin-3-yl-3-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazolidin-2-yl)piperidin-4-yl]-1,3-thiazole
CID 141123565
6-(2-Aminopyrimidin-5-yl)-2-butylsulfanyl-4-(4-fluorophenyl)thieno[2,3-b]pyridin-3-amine;2-butylsulfanyl-6-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethane
CID 142485877
Butane;6-butylsulfanyl-4-pyrimidin-5-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;9-cyclopentylsulfanyl-5-methyl-13-(1,3-thiazol-2-yl)-10-thia-4,6,7,12-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2,4,8,11(15),12-hexaene;ethane
CID 142485884
3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 145037409
ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
CID 145244974

Frequently Asked Questions

What is the IUPAC name of bis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole)?
The IUPAC name of bis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole) (CID 158012572) is bis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole).
What is the SMILES notation for bis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole)?
The canonical SMILES for bis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole) is CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1nnc(C(C)C)s1.
What is the InChIKey of bis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole)?
The InChIKey is FFBMSNUJCLCXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H17N.3C10H16N2.4C9H15NS.C8H14N2S/c2*1-8(2)10-5-6-11(9(3)4)12-7-10;3*1-7(2)9-5-11-10(8(3)4)12-6-9;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4/h2*5-9H,1-4H3;3*5-8H,1-4H3;4*5-7H,1-4H3;5-6H,1-4H3.
What are the key properties of bis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole)?
bis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole) has a molecular weight of 1666.74 g/mol, XLogP of 31.17, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-di(propan-2-yl)pyridine);tris(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole) is sourced from PubChem (CID 158012572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).