1-(4-methyl-1,3-thiazol-2-yl)butan-1-one

C8H11NOS — CID 20560347

IUPAC1-(4-methyl-1,3-thiazol-2-yl)butan-1-one
SMILESCCCC(=O)c1nc(C)cs1
InChIInChI=1S/C8H11NOS/c1-3-4-7(10)8-9-6(2)5-11-8/h5H,3-4H2,1-2H3
InChIKeyFTZZKKIBOVBULE-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.43
Rot. Bonds3

About 1-(4-methyl-1,3-thiazol-2-yl)butan-1-one

1-(4-methyl-1,3-thiazol-2-yl)butan-1-one (PubChem CID 20560347) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)butan-1-one
PubChem CID20560347
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)butan-1-one
SMILESCCCC(=O)c1nc(C)cs1
InChIInChI=1S/C8H11NOS/c1-3-4-7(10)8-9-6(2)5-11-8/h5H,3-4H2,1-2H3
InChIKeyFTZZKKIBOVBULE-UHFFFAOYSA-N
XLogP2.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrochloride
CID 121225631
2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide
CID 23003355
4-methyl-N-propyl-1,3-thiazole-2-carboxamide
CID 110696075
2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one
CID 83388796
(Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid
CID 165441170
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
1-(2-amino-1,3-thiazol-4-yl)butan-1-one
CID 13040576
N-(2,6-dimethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696181
2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 135436049
2,4-dimethyl-1,3-thiazole;octane
CID 145323781
CID 131842856
CID 131842856

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)butan-1-one?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)butan-1-one (CID 20560347) is 1-(4-methyl-1,3-thiazol-2-yl)butan-1-one.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)butan-1-one?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)butan-1-one is CCCC(=O)c1nc(C)cs1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)butan-1-one?
The InChIKey is FTZZKKIBOVBULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-3-4-7(10)8-9-6(2)5-11-8/h5H,3-4H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)butan-1-one?
1-(4-methyl-1,3-thiazol-2-yl)butan-1-one has a molecular weight of 169.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)butan-1-one is sourced from PubChem (CID 20560347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).