2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

C17H18N4O2S — CID 95569404

IUPAC2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCn1cc([C@@H]2CCCN2C(=O)Cc2csc(-c3ccco3)n2)cn1
InChIInChI=1S/C17H18N4O2S/c1-20-10-12(9-18-20)14-4-2-6-21(14)16(22)8-13-11-24-17(19-13)15-5-3-7-23-15/h3,5,7,9-11,14H,2,4,6,8H2,1H3/t14-/m0/s1
InChIKeyBAOOWFGWNPTMER-AWEZNQCLSA-N
MW342.42 g/mol
LogP3.04
Rot. Bonds4

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

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95569404) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID95569404
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCn1cc([C@@H]2CCCN2C(=O)Cc2csc(-c3ccco3)n2)cn1
InChIInChI=1S/C17H18N4O2S/c1-20-10-12(9-18-20)14-4-2-6-21(14)16(22)8-13-11-24-17(19-13)15-5-3-7-23-15/h3,5,7,9-11,14H,2,4,6,8H2,1H3/t14-/m0/s1
InChIKeyBAOOWFGWNPTMER-AWEZNQCLSA-N
XLogP3.04
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)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

1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 33225688
1-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 33225684
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 24664167
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 51648897
2-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95319617
2-(4-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56825079
2-(4-methoxyphenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569574
2-(2-fluorophenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569592
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-(2-phenylpyrrolidin-1-yl)ethanone
CID 55495719
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 46975041
1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 51600193
3,3-dicyclopropyl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95348351

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (CID 95569404) is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is Cn1cc([C@@H]2CCCN2C(=O)Cc2csc(-c3ccco3)n2)cn1.
What is the InChIKey of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is BAOOWFGWNPTMER-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-20-10-12(9-18-20)14-4-2-6-21(14)16(22)8-13-11-24-17(19-13)15-5-3-7-23-15/h3,5,7,9-11,14H,2,4,6,8H2,1H3/t14-/m0/s1.
What are the key properties of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 342.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95569404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).