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

C27H27N5O4S — CID 56726250

IUPACN-[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2csc(-c3cc(NC(=O)C4CC(=O)N(c5ccc(C)cc5)C4)n(C)n3)n2)cc1OC
InChIInChI=1S/C27H27N5O4S/c1-16-5-8-19(9-6-16)32-14-18(12-25(32)33)26(34)29-24-13-20(30-31(24)2)27-28-21(15-37-27)17-7-10-22(35-3)23(11-17)36-4/h5-11,13,15,18H,12,14H2,1-4H3,(H,29,34)
InChIKeyTZNOFLIWDFYROV-UHFFFAOYSA-N
MW517.61 g/mol
LogP4.53
Rot. Bonds7

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

N-[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 56726250) has the molecular formula C27H27N5O4S and a molecular weight of 517.61 g/mol. Its IUPAC name is N-[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID56726250
Molecular FormulaC27H27N5O4S
Molecular Weight517.61 g/mol
Exact Mass517.18
IUPAC NameN-[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2csc(-c3cc(NC(=O)C4CC(=O)N(c5ccc(C)cc5)C4)n(C)n3)n2)cc1OC
InChIInChI=1S/C27H27N5O4S/c1-16-5-8-19(9-6-16)32-14-18(12-25(32)33)26(34)29-24-13-20(30-31(24)2)27-28-21(15-37-27)17-7-10-22(35-3)23(11-17)36-4/h5-11,13,15,18H,12,14H2,1-4H3,(H,29,34)
InChIKeyTZNOFLIWDFYROV-UHFFFAOYSA-N
XLogP4.53
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.61
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578508
1-(4-methoxyphenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108748058
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24600011
(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
1-(4-methylphenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55334112
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569326
1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 108810582
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057156
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 108725378
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 56726250) is N-[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(-c2csc(-c3cc(NC(=O)C4CC(=O)N(c5ccc(C)cc5)C4)n(C)n3)n2)cc1OC.
What is the InChIKey of N-[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is TZNOFLIWDFYROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4S/c1-16-5-8-19(9-6-16)32-14-18(12-25(32)33)26(34)29-24-13-20(30-31(24)2)27-28-21(15-37-27)17-7-10-22(35-3)23(11-17)36-4/h5-11,13,15,18H,12,14H2,1-4H3,(H,29,34).
What are the key properties of N-[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 517.61 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 56726250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).