ethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

C68H124N10O2S3 — CID 158753127

IUPACethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cccnc1.CC(C)c1ccncn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/C8H11N.2C7H10N2.2C6H9NO.3C6H9NS.8C2H6/c1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;8*1-2/h3-7H,1-2H3;2*3-6H,1-2H3;5*3-5H,1-2H3;8*1-2H3
InChIKeyINSQIVQBGGNHFG-UHFFFAOYSA-N
MW1210.01 g/mol
LogP24.01
Rot. Bonds8

About ethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

ethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 158753127) has the molecular formula C68H124N10O2S3 and a molecular weight of 1210.01 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
PubChem CID158753127
Molecular FormulaC68H124N10O2S3
Molecular Weight1210.01 g/mol
Exact Mass1208.91
IUPAC Nameethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cccnc1.CC(C)c1ccncn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/C8H11N.2C7H10N2.2C6H9NO.3C6H9NS.8C2H6/c1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;8*1-2/h3-7H,1-2H3;2*3-6H,1-2H3;5*3-5H,1-2H3;8*1-2H3
InChIKeyINSQIVQBGGNHFG-UHFFFAOYSA-N
XLogP24.01
TPSA155.18 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001210.01
LogP ≤ 524.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze ethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole with MolForge

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Related Compounds

4-(1,1-Difluoroethyl)-2-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-4-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yl-1,3-thiazol-5-yl)morpholine
CID 157670881
6-[[1-[2-[[4-Amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]-4-pyridinyl]pyridin-1-ium-3-yl]methyl]-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 90946857
Ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 143976521
Ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 157226919
Bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 157293237
bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(2-methyl-4-propan-2-ylpyrimidine);bis(2-methyl-4-propan-2-yl-1,3-thiazole);bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-methylsulfonyl-2-propan-2-yl-1,3-thiazole;(5-propan-2-yl-1,3-oxazol-4-yl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfinate;(2-propan-2-yl-3-pyridinyl)methanesulfonimidic acid;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfinate;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfinate;N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide;(4-propan-2-yl-1,3-thiazol-5-yl)methanesulfonimidic acid;(5-propan-2-yl-1,3-thiazol-4-yl)methanesulfonimidic acid
CID 157324498
Methane;6-methyl-4-propan-2-ylpyridin-2-amine;5-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1,3-thiazol-2-amine
CID 157371957
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157416201
3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole
CID 157542792
Ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157552958
2-Propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157675158
tert-butylbenzene;2-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;ethane;methane
CID 157727444

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of ethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (CID 158753127) is ethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for ethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for ethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cccnc1.CC(C)c1ccncn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.
What is the InChIKey of ethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is INSQIVQBGGNHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.2C7H10N2.2C6H9NO.3C6H9NS.8C2H6/c1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;8*1-2/h3-7H,1-2H3;2*3-6H,1-2H3;5*3-5H,1-2H3;8*1-2H3.
What are the key properties of ethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
ethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 1210.01 g/mol, XLogP of 24.01, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158753127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).