1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide

C16H19N3OS — CID 166256732

IUPAC1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide
SMILESCC1CN(Cc2ccccc2)CC1C(=O)Nc1cnsc1
InChIInChI=1S/C16H19N3OS/c1-12-8-19(9-13-5-3-2-4-6-13)10-15(12)16(20)18-14-7-17-21-11-14/h2-7,11-12,15H,8-10H2,1H3,(H,18,20)
InChIKeyOQDHTJZAZNRPSG-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.85
Rot. Bonds4

About 1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide

1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 166256732) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID166256732
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide
SMILESCC1CN(Cc2ccccc2)CC1C(=O)Nc1cnsc1
InChIInChI=1S/C16H19N3OS/c1-12-8-19(9-13-5-3-2-4-6-13)10-15(12)16(20)18-14-7-17-21-11-14/h2-7,11-12,15H,8-10H2,1H3,(H,18,20)
InChIKeyOQDHTJZAZNRPSG-UHFFFAOYSA-N
XLogP2.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide 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

(3S,4S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-benzyl-4-methylpyrrolidine-3-carboxamide
CID 128980173
1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 23062043
(3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide
CID 128984584
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
(3S,4S)-1-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 128984998
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626
1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide
CID 18723473
benzyl 1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 86678243
(1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone
CID 166256709
(3S,4S)-1-benzyl-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylpyrrolidine-3-carboxamide
CID 128986087
N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide
CID 129429409
(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-4-methylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 22871815

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide (CID 166256732) is 1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide is CC1CN(Cc2ccccc2)CC1C(=O)Nc1cnsc1.
What is the InChIKey of 1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is OQDHTJZAZNRPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-12-8-19(9-13-5-3-2-4-6-13)10-15(12)16(20)18-14-7-17-21-11-14/h2-7,11-12,15H,8-10H2,1H3,(H,18,20).
What are the key properties of 1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide?
1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 166256732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).