4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

C10H13N3O2S — CID 141489183

IUPAC4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESC[C@H]1CCCN1C(=O)c1csc(C(N)=O)n1
InChIInChI=1S/C10H13N3O2S/c1-6-3-2-4-13(6)10(15)7-5-16-9(12-7)8(11)14/h5-6H,2-4H2,1H3,(H2,11,14)/t6-/m0/s1
InChIKeyRBBIYGYRVOKIPS-LURJTMIESA-N
MW239.30 g/mol
LogP0.87
Rot. Bonds2

About 4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 141489183) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
PubChem CID141489183
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESC[C@H]1CCCN1C(=O)c1csc(C(N)=O)n1
InChIInChI=1S/C10H13N3O2S/c1-6-3-2-4-13(6)10(15)7-5-16-9(12-7)8(11)14/h5-6H,2-4H2,1H3,(H2,11,14)/t6-/m0/s1
InChIKeyRBBIYGYRVOKIPS-LURJTMIESA-N
XLogP0.87
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

iodo 4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxylate
CID 163733946
[2-[1-[(2-hydroxy-2-methylpropyl)amino]ethenyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 163929670
carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 159765137
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
[2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 174945292
(2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3875834
[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 58924813
[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 3713443
[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 58924876
2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697235
ethyl 4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxylate
CID 116697871
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199129

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 141489183) is 4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is C[C@H]1CCCN1C(=O)c1csc(C(N)=O)n1.
What is the InChIKey of 4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is RBBIYGYRVOKIPS-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6-3-2-4-13(6)10(15)7-5-16-9(12-7)8(11)14/h5-6H,2-4H2,1H3,(H2,11,14)/t6-/m0/s1.
What are the key properties of 4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 239.30 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 141489183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).