1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone

C10H13NOS — CID 107004005

IUPAC1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC1(C)CC1C(=O)Cc1cncs1
InChIInChI=1S/C10H13NOS/c1-10(2)4-8(10)9(12)3-7-5-11-6-13-7/h5-6,8H,3-4H2,1-2H3
InChIKeyPYSDTXAXDFCOFV-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.30
Rot. Bonds3

About 1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone

1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 107004005) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID107004005
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC1(C)CC1C(=O)Cc1cncs1
InChIInChI=1S/C10H13NOS/c1-10(2)4-8(10)9(12)3-7-5-11-6-13-7/h5-6,8H,3-4H2,1-2H3
InChIKeyPYSDTXAXDFCOFV-UHFFFAOYSA-N
XLogP2.30
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642434
1-(4-ethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642350
1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642357
1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642355
1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 107003842
1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone
CID 116568336
1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 116579911
1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642467
1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642454
1-(3-methylpyrrolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 116570016
1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642366
1,2-bis(1,3-thiazol-5-yl)ethanone
CID 112642435

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone (CID 107004005) is 1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone is CC1(C)CC1C(=O)Cc1cncs1.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is PYSDTXAXDFCOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-10(2)4-8(10)9(12)3-7-5-11-6-13-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone?
1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 195.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 107004005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).