(3S)-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C26H25N5O3S — CID 25282000

IUPAC(3S)-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(-c2csc(-n3nc(C)cc3NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)n2)c1
InChIInChI=1S/C26H25N5O3S/c1-16-7-4-5-10-22(16)30-14-19(13-24(30)32)25(33)28-23-11-17(2)29-31(23)26-27-21(15-35-26)18-8-6-9-20(12-18)34-3/h4-12,15,19H,13-14H2,1-3H3,(H,28,33)/t19-/m0/s1
InChIKeyFSEFXUSQVARDJE-IBGZPJMESA-N
MW487.59 g/mol
LogP4.61
Rot. Bonds6

About (3S)-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 25282000) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is (3S)-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID25282000
Molecular FormulaC26H25N5O3S
Molecular Weight487.59 g/mol
Exact Mass487.17
IUPAC Name(3S)-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(-c2csc(-n3nc(C)cc3NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)n2)c1
InChIInChI=1S/C26H25N5O3S/c1-16-7-4-5-10-22(16)30-14-19(13-24(30)32)25(33)28-23-11-17(2)29-31(23)26-27-21(15-35-26)18-8-6-9-20(12-18)34-3/h4-12,15,19H,13-14H2,1-3H3,(H,28,33)/t19-/m0/s1
InChIKeyFSEFXUSQVARDJE-IBGZPJMESA-N
XLogP4.61
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide
CID 25281972
(3S)-1-(4-fluorophenyl)-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 25281799
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 9351117
N-(3-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885956
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 135949176
1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 16547907
1-(4-methoxyphenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108748058
(3S)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41066152
2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
CID 25281558
N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 25282145
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108728950
1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 108810582

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 25282000) is (3S)-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)n2)c1.
What is the InChIKey of (3S)-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FSEFXUSQVARDJE-IBGZPJMESA-N. The full InChI is InChI=1S/C26H25N5O3S/c1-16-7-4-5-10-22(16)30-14-19(13-24(30)32)25(33)28-23-11-17(2)29-31(23)26-27-21(15-35-26)18-8-6-9-20(12-18)34-3/h4-12,15,19H,13-14H2,1-3H3,(H,28,33)/t19-/m0/s1.
What are the key properties of (3S)-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 487.59 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 25282000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).