(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone

C15H16N2OS — CID 24638936

IUPAC(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCCC2)s1
InChIInChI=1S/C15H16N2OS/c1-11-16-13(12-7-3-2-4-8-12)14(19-11)15(18)17-9-5-6-10-17/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyQGHAMKSGQHOYCR-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.35
Rot. Bonds2

About (2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone

(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 24638936) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID24638936
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCCC2)s1
InChIInChI=1S/C15H16N2OS/c1-11-16-13(12-7-3-2-4-8-12)14(19-11)15(18)17-9-5-6-10-17/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyQGHAMKSGQHOYCR-UHFFFAOYSA-N
XLogP3.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 99821823
(4-benzyl-1,4-diazepan-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 30545018
(4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 9071369
[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119516712
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 166210041
3-fluoro-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120688243
(5S)-9-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95715470
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
N-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 24503747
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 96573315
(6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 70709910
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 112800819

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone (CID 24638936) is (2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone is Cc1nc(-c2ccccc2)c(C(=O)N2CCCC2)s1.
What is the InChIKey of (2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is QGHAMKSGQHOYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-16-13(12-7-3-2-4-8-12)14(19-11)15(18)17-9-5-6-10-17/h2-4,7-8H,5-6,9-10H2,1H3.
What are the key properties of (2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone?
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 272.37 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24638936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).