2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone

C10H12ClNOS — CID 107925301

IUPAC2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone
SMILESCC1(C)CC1c1nc(C(=O)CCl)cs1
InChIInChI=1S/C10H12ClNOS/c1-10(2)3-6(10)9-12-7(5-14-9)8(13)4-11/h5-6H,3-4H2,1-2H3
InChIKeyDAOSOMLQTSZGRI-UHFFFAOYSA-N
MW229.73 g/mol
LogP3.08
Rot. Bonds3

About 2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone

2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 107925301) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is 2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone
PubChem CID107925301
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone
SMILESCC1(C)CC1c1nc(C(=O)CCl)cs1
InChIInChI=1S/C10H12ClNOS/c1-10(2)3-6(10)9-12-7(5-14-9)8(13)4-11/h5-6H,3-4H2,1-2H3
InChIKeyDAOSOMLQTSZGRI-UHFFFAOYSA-N
XLogP3.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925304
ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925303
[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol
CID 107924752
1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]-2-chloroethanone
CID 113392238
2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole
CID 107924795
2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
CID 82670376
2-chloro-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 113392188
5-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 114016544
2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]propan-2-amine
CID 107925925
N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 107925898
N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 107925558
2-chloro-1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethanone
CID 113392172

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone (CID 107925301) is 2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone is CC1(C)CC1c1nc(C(=O)CCl)cs1.
What is the InChIKey of 2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is DAOSOMLQTSZGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS/c1-10(2)3-6(10)9-12-7(5-14-9)8(13)4-11/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone?
2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 229.73 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 107925301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).