5-[4-(2-ethylcyclopropyl)-4-methylpentan-2-yl]-2-propan-2-yl-1,3-thiazole

C17H29NS — CID 138548701

IUPAC5-[4-(2-ethylcyclopropyl)-4-methylpentan-2-yl]-2-propan-2-yl-1,3-thiazole
SMILESCCC1CC1C(C)(C)CC(C)c1cnc(C(C)C)s1
InChIInChI=1S/C17H29NS/c1-7-13-8-14(13)17(5,6)9-12(4)15-10-18-16(19-15)11(2)3/h10-14H,7-9H2,1-6H3
InChIKeyBGQORSXWXJJHAE-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.83
Rot. Bonds6

About 5-[4-(2-ethylcyclopropyl)-4-methylpentan-2-yl]-2-propan-2-yl-1,3-thiazole

5-[4-(2-ethylcyclopropyl)-4-methylpentan-2-yl]-2-propan-2-yl-1,3-thiazole (PubChem CID 138548701) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 5-[4-(2-ethylcyclopropyl)-4-methylpentan-2-yl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[4-(2-ethylcyclopropyl)-4-methylpentan-2-yl]-2-propan-2-yl-1,3-thiazole
PubChem CID138548701
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name5-[4-(2-ethylcyclopropyl)-4-methylpentan-2-yl]-2-propan-2-yl-1,3-thiazole
SMILESCCC1CC1C(C)(C)CC(C)c1cnc(C(C)C)s1
InChIInChI=1S/C17H29NS/c1-7-13-8-14(13)17(5,6)9-12(4)15-10-18-16(19-15)11(2)3/h10-14H,7-9H2,1-6H3
InChIKeyBGQORSXWXJJHAE-UHFFFAOYSA-N
XLogP5.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,3-Dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
CID 59623676
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
2-Propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole
CID 157060119
2-Methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 163762677
5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole
CID 166826846
5-Octan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 167185113
5-[(1-Fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole
CID 170152111
5-(1,1-Difluoro-2-methylbutyl)-2-methyl-1,3-thiazole
CID 170423974
5-(1-Fluoro-2-methylpropyl)-2-methyl-1,3-thiazole
CID 170423989
2-Methyl-5-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole
CID 176285105
5-Butyl-2-ethylthiazole
CID 581137
(2,2,3,3-Tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785485

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-ethylcyclopropyl)-4-methylpentan-2-yl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-[4-(2-ethylcyclopropyl)-4-methylpentan-2-yl]-2-propan-2-yl-1,3-thiazole (CID 138548701) is 5-[4-(2-ethylcyclopropyl)-4-methylpentan-2-yl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-[4-(2-ethylcyclopropyl)-4-methylpentan-2-yl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-[4-(2-ethylcyclopropyl)-4-methylpentan-2-yl]-2-propan-2-yl-1,3-thiazole is CCC1CC1C(C)(C)CC(C)c1cnc(C(C)C)s1.
What is the InChIKey of 5-[4-(2-ethylcyclopropyl)-4-methylpentan-2-yl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is BGQORSXWXJJHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-7-13-8-14(13)17(5,6)9-12(4)15-10-18-16(19-15)11(2)3/h10-14H,7-9H2,1-6H3.
What are the key properties of 5-[4-(2-ethylcyclopropyl)-4-methylpentan-2-yl]-2-propan-2-yl-1,3-thiazole?
5-[4-(2-ethylcyclopropyl)-4-methylpentan-2-yl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 279.49 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-ethylcyclopropyl)-4-methylpentan-2-yl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 138548701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).