(2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide

C15H21N5OS — CID 124736836

IUPAC(2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1nc([C@@H]2CCCN2C(=O)Nc2ccn(C(C)C)n2)cs1
InChIInChI=1S/C15H21N5OS/c1-10(2)20-8-6-14(18-20)17-15(21)19-7-4-5-13(19)12-9-22-11(3)16-12/h6,8-10,13H,4-5,7H2,1-3H3,(H,17,18,21)/t13-/m0/s1
InChIKeyPDTAGVAHULDEDJ-ZDUSSCGKSA-N
MW319.43 g/mol
LogP3.60
Rot. Bonds3

About (2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide

(2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 124736836) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is (2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID124736836
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name(2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1nc([C@@H]2CCCN2C(=O)Nc2ccn(C(C)C)n2)cs1
InChIInChI=1S/C15H21N5OS/c1-10(2)20-8-6-14(18-20)17-15(21)19-7-4-5-13(19)12-9-22-11(3)16-12/h6,8-10,13H,4-5,7H2,1-3H3,(H,17,18,21)/t13-/m0/s1
InChIKeyPDTAGVAHULDEDJ-ZDUSSCGKSA-N
XLogP3.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
CID 124886957
N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
CID 126794828
(2R)-2-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 125140445
2-(2-hydroxy-2-thiophen-2-ylethyl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 122139751
(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 124622224
(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 124622225
[1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea
CID 127920280
(2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
CID 124626874
cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066037
[2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone
CID 127940351
1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone
CID 136533413
[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone
CID 124873595

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide (CID 124736836) is (2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide is Cc1nc([C@@H]2CCCN2C(=O)Nc2ccn(C(C)C)n2)cs1.
What is the InChIKey of (2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is PDTAGVAHULDEDJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10(2)20-8-6-14(18-20)17-15(21)19-7-4-5-13(19)12-9-22-11(3)16-12/h6,8-10,13H,4-5,7H2,1-3H3,(H,17,18,21)/t13-/m0/s1.
What are the key properties of (2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide?
(2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124736836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).