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

C9H13NOS — CID 83388796

IUPAC2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one
SMILESCc1csc(C(=O)C(C)(C)C)n1
InChIInChI=1S/C9H13NOS/c1-6-5-12-8(10-6)7(11)9(2,3)4/h5H,1-4H3
InChIKeyJFILXQFOCOYMTR-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.68
Rot. Bonds1

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

2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one (PubChem CID 83388796) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one
PubChem CID83388796
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one
SMILESCc1csc(C(=O)C(C)(C)C)n1
InChIInChI=1S/C9H13NOS/c1-6-5-12-8(10-6)7(11)9(2,3)4/h5H,1-4H3
InChIKeyJFILXQFOCOYMTR-UHFFFAOYSA-N
XLogP2.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)butan-1-one
CID 20560347
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-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 135436049
4-methyl-N-propyl-1,3-thiazole-2-carboxamide
CID 110696075
azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 110696169
2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide;silver
CID 135519768
(4-methyl-1,3-thiazol-2-yl)-piperidin-1-ylmethanone
CID 67514784
N-[1-(4-methyl-1,3-thiazol-2-yl)ethylidene]hydroxylamine
CID 137186649
(Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid
CID 165441170
2-(4-methyl-1,3-thiazole-2-carbonyl)benzoic acid
CID 66731461

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one (CID 83388796) is 2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one is Cc1csc(C(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one?
The InChIKey is JFILXQFOCOYMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-6-5-12-8(10-6)7(11)9(2,3)4/h5H,1-4H3.
What are the key properties of 2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one?
2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one has a molecular weight of 183.28 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 83388796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).