(3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

C12H19N3OS — CID 98540715

IUPAC(3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1nc(CN(C)C(=O)[C@@H]2CNC[C@H]2C)cs1
InChIInChI=1S/C12H19N3OS/c1-8-4-13-5-11(8)12(16)15(3)6-10-7-17-9(2)14-10/h7-8,11,13H,4-6H2,1-3H3/t8-,11-/m1/s1
InChIKeyUWAKLQZPPDCAID-LDYMZIIASA-N
MW253.37 g/mol
LogP1.27
Rot. Bonds3

About (3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

(3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 98540715) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is (3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID98540715
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name(3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1nc(CN(C)C(=O)[C@@H]2CNC[C@H]2C)cs1
InChIInChI=1S/C12H19N3OS/c1-8-4-13-5-11(8)12(16)15(3)6-10-7-17-9(2)14-10/h7-8,11,13H,4-6H2,1-3H3/t8-,11-/m1/s1
InChIKeyUWAKLQZPPDCAID-LDYMZIIASA-N
XLogP1.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]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

1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116572640
N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 63716443
4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 66235264
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119841640
5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688383
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107436138
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrrolidin-3-ol
CID 63703954
(3S,4S)-N-benzyl-N,4-dimethylpyrrolidine-3-carboxamide
CID 98541238
(3S,4S)-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 136689820
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63716496
3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119841605
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 86853844

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 98540715) is (3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is Cc1nc(CN(C)C(=O)[C@@H]2CNC[C@H]2C)cs1.
What is the InChIKey of (3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is UWAKLQZPPDCAID-LDYMZIIASA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-4-13-5-11(8)12(16)15(3)6-10-7-17-9(2)14-10/h7-8,11,13H,4-6H2,1-3H3/t8-,11-/m1/s1.
What are the key properties of (3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
(3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 98540715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).