2-tert-butyl-5-methyl-4-propyl-1,3-thiazole

C11H19NS — CID 166828190

IUPAC2-tert-butyl-5-methyl-4-propyl-1,3-thiazole
SMILESCCCc1nc(C(C)(C)C)sc1C
InChIInChI=1S/C11H19NS/c1-6-7-9-8(2)13-10(12-9)11(3,4)5/h6-7H2,1-5H3
InChIKeyNDMCZPDWXNHSFF-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.70
Rot. Bonds2

About 2-tert-butyl-5-methyl-4-propyl-1,3-thiazole

2-tert-butyl-5-methyl-4-propyl-1,3-thiazole (PubChem CID 166828190) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4-propyl-1,3-thiazole
PubChem CID166828190
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2-tert-butyl-5-methyl-4-propyl-1,3-thiazole
SMILESCCCc1nc(C(C)(C)C)sc1C
InChIInChI=1S/C11H19NS/c1-6-7-9-8(2)13-10(12-9)11(3,4)5/h6-7H2,1-5H3
InChIKeyNDMCZPDWXNHSFF-UHFFFAOYSA-N
XLogP3.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432329
3-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82432359
4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82432354
(E)-3-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)prop-2-enoic acid
CID 82432358
2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane
CID 162228688
5-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82432361
2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 61332918
1-(5-methyl-4-propyl-1,3-thiazol-2-yl)ethanol
CID 116867604
2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropan-1-ol
CID 116865506
5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole
CID 142193708
(E)-3-(5-methyl-4-propyl-1,3-thiazol-2-yl)prop-2-enoic acid
CID 116868066
N-[1-cyclohexyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63405735

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-4-propyl-1,3-thiazole?
The IUPAC name of 2-tert-butyl-5-methyl-4-propyl-1,3-thiazole (CID 166828190) is 2-tert-butyl-5-methyl-4-propyl-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-5-methyl-4-propyl-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-5-methyl-4-propyl-1,3-thiazole is CCCc1nc(C(C)(C)C)sc1C.
What is the InChIKey of 2-tert-butyl-5-methyl-4-propyl-1,3-thiazole?
The InChIKey is NDMCZPDWXNHSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-6-7-9-8(2)13-10(12-9)11(3,4)5/h6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-5-methyl-4-propyl-1,3-thiazole?
2-tert-butyl-5-methyl-4-propyl-1,3-thiazole has a molecular weight of 197.35 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-4-propyl-1,3-thiazole is sourced from PubChem (CID 166828190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).