[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone

C17H18N2OS — CID 53037742

IUPAC[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2csc(C3CC3)n2)cc1)N1CCCC1
InChIInChI=1S/C17H18N2OS/c20-17(19-9-1-2-10-19)14-7-3-12(4-8-14)15-11-21-16(18-15)13-5-6-13/h3-4,7-8,11,13H,1-2,5-6,9-10H2
InChIKeyMVRPKCBSPWHNRV-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.92
Rot. Bonds3

About [4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone

[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 53037742) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is [4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID53037742
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2csc(C3CC3)n2)cc1)N1CCCC1
InChIInChI=1S/C17H18N2OS/c20-17(19-9-1-2-10-19)14-7-3-12(4-8-14)15-11-21-16(18-15)13-5-6-13/h3-4,7-8,11,13H,1-2,5-6,9-10H2
InChIKeyMVRPKCBSPWHNRV-UHFFFAOYSA-N
XLogP3.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-cyclopropyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 35618751
methyl 4-[2-(1-acetylpyrrolidin-3-yl)-1,3-thiazol-4-yl]benzoate
CID 167917290
1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone
CID 22893123
N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide
CID 53037722
ethyl (3S)-1-[4-(2-ethyl-1,3-thiazol-4-yl)benzoyl]piperidine-3-carboxylate
CID 95056807
ethyl (3R)-1-[4-(2-ethyl-1,3-thiazol-4-yl)benzoyl]piperidine-3-carboxylate
CID 95056808
N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 35619010
(4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone
CID 53037663
3-(2-cycloheptyl-1,3-thiazol-4-yl)benzoic acid
CID 65399902
4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
CID 67844061
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 3839677
4-[4-(4-piperidin-4-ylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid;hydrochloride
CID 67844060

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone (CID 53037742) is [4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(-c2csc(C3CC3)n2)cc1)N1CCCC1.
What is the InChIKey of [4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is MVRPKCBSPWHNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-17(19-9-1-2-10-19)14-7-3-12(4-8-14)15-11-21-16(18-15)13-5-6-13/h3-4,7-8,11,13H,1-2,5-6,9-10H2.
What are the key properties of [4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone?
[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 298.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53037742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).