1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone

C12H19NOS — CID 82438513

IUPAC1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone
SMILESCCCc1nc(C(C)(C)C)c(C(C)=O)s1
InChIInChI=1S/C12H19NOS/c1-6-7-9-13-11(12(3,4)5)10(15-9)8(2)14/h6-7H2,1-5H3
InChIKeyZZMJYFDCGKQVCB-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.60
Rot. Bonds3

About 1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone

1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone (PubChem CID 82438513) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone
PubChem CID82438513
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone
SMILESCCCc1nc(C(C)(C)C)c(C(C)=O)s1
InChIInChI=1S/C12H19NOS/c1-6-7-9-13-11(12(3,4)5)10(15-9)8(2)14/h6-7H2,1-5H3
InChIKeyZZMJYFDCGKQVCB-UHFFFAOYSA-N
XLogP3.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-tert-butyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone
CID 82439543
1-[4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82439577
1-(4-tert-butyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone
CID 82439111
1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone
CID 82440170
2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 175335366
1-[4-tert-butyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82438754
5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid
CID 106696405
4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboxylic acid
CID 82227339
4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 79015048
4-tert-butyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114359338
4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
CID 114359474
2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119199794

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone (CID 82438513) is 1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone is CCCc1nc(C(C)(C)C)c(C(C)=O)s1.
What is the InChIKey of 1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is ZZMJYFDCGKQVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-6-7-9-13-11(12(3,4)5)10(15-9)8(2)14/h6-7H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone?
1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 225.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 82438513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).