2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone

C11H13F3N2OS — CID 95870307

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCC[C@H]2C(F)(F)F)cs1
InChIInChI=1S/C11H13F3N2OS/c1-7-15-8(6-18-7)5-10(17)16-4-2-3-9(16)11(12,13)14/h6,9H,2-5H2,1H3/t9-/m0/s1
InChIKeyMZCLWGBOUFLEIX-VIFPVBQESA-N
MW278.30 g/mol
LogP2.55
Rot. Bonds2

About 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone (PubChem CID 95870307) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
PubChem CID95870307
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCC[C@H]2C(F)(F)F)cs1
InChIInChI=1S/C11H13F3N2OS/c1-7-15-8(6-18-7)5-10(17)16-4-2-3-9(16)11(12,13)14/h6,9H,2-5H2,1H3/t9-/m0/s1
InChIKeyMZCLWGBOUFLEIX-VIFPVBQESA-N
XLogP2.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45819395
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 56819149
(3S)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)acetyl]azepan-3-amine
CID 70742775
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 71936708
1-[2-[(4-Methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-1-yl]-3-sulfanylpropan-1-one
CID 177681041
N-ethyl-N-(2-methylprop-2-enyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45819536
N-(cyanomethyl)-N-cyclopropyl-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 51096982
1-(2,2-Dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 86768821
2-Methyl-4-{2-oxo-2-[2-(trifluoromethyl)-1-pyrrolidinyl]ethyl}-1,3-thiazole
CID 70735967
2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78786025
2-(2-Arsanyl-1,3-thiazol-4-yl)-1-[4-(3,3-difluoropiperidin-1-yl)piperidin-1-yl]ethanone
CID 173784218
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 45813056

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone (CID 95870307) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone is Cc1nc(CC(=O)N2CCC[C@H]2C(F)(F)F)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is MZCLWGBOUFLEIX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-7-15-8(6-18-7)5-10(17)16-4-2-3-9(16)11(12,13)14/h6,9H,2-5H2,1H3/t9-/m0/s1.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 278.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95870307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).