2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone

C9H11NO2S — CID 131204307

IUPAC2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(C(=O)C(O)C2CC2)cs1
InChIInChI=1S/C9H11NO2S/c1-5-10-7(4-13-5)9(12)8(11)6-2-3-6/h4,6,8,11H,2-3H2,1H3
InChIKeyRKJZESXWCBAEDB-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.41
Rot. Bonds3

About 2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone

2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 131204307) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID131204307
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(C(=O)C(O)C2CC2)cs1
InChIInChI=1S/C9H11NO2S/c1-5-10-7(4-13-5)9(12)8(11)6-2-3-6/h4,6,8,11H,2-3H2,1H3
InChIKeyRKJZESXWCBAEDB-UHFFFAOYSA-N
XLogP1.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 130906323
N-(2-chloro-2-cyclopropylethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 114305258
2-amino-2-cyclopropyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 130757840
N-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 102684996
(3-methylidene-8-azabicyclo[3.2.1]octan-8-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 139028527
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56820453
(3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 130815632
(2-aminocyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 127004310
(4-aminopiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199009
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol
CID 90101890
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 131204307) is 2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(C(=O)C(O)C2CC2)cs1.
What is the InChIKey of 2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is RKJZESXWCBAEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-5-10-7(4-13-5)9(12)8(11)6-2-3-6/h4,6,8,11H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 197.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 131204307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).