(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

C16H21N5O2S — CID 124610218

IUPAC(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)sc1C
InChIInChI=1S/C16H21N5O2S/c1-9-10(2)24-15(19-9)16(3,4)20-14(23)11-5-13(22)21(8-11)12-6-17-18-7-12/h6-7,11H,5,8H2,1-4H3,(H,17,18)(H,20,23)/t11-/m0/s1
InChIKeyXWDKMSNNKFKBNV-NSHDSACASA-N
MW347.44 g/mol
LogP1.89
Rot. Bonds4

About (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 124610218) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID124610218
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)sc1C
InChIInChI=1S/C16H21N5O2S/c1-9-10(2)24-15(19-9)16(3,4)20-14(23)11-5-13(22)21(8-11)12-6-17-18-7-12/h6-7,11H,5,8H2,1-4H3,(H,17,18)(H,20,23)/t11-/m0/s1
InChIKeyXWDKMSNNKFKBNV-NSHDSACASA-N
XLogP1.89
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 124610155
5-oxo-N-(3-phenyloxetan-3-yl)-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 138021768
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]cyclopentane-1-carboxamide
CID 119890065
1-(4-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108787231
(3S)-5-oxo-N-[(4-phenylsulfanylphenyl)methyl]-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 99612706
(4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
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(3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39337801
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
(4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124698691
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 75493668
N-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 71863098
N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (CID 124610218) is (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is Cc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)sc1C.
What is the InChIKey of (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is XWDKMSNNKFKBNV-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-9-10(2)24-15(19-9)16(3,4)20-14(23)11-5-13(22)21(8-11)12-6-17-18-7-12/h6-7,11H,5,8H2,1-4H3,(H,17,18)(H,20,23)/t11-/m0/s1.
What are the key properties of (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 124610218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).