N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C19H17N3O3S2 — CID 35387582

IUPACN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1N1CCCC1=O
InChIInChI=1S/C19H17N3O3S2/c1-25-16-5-4-13(9-15(16)22-7-2-3-17(22)23)20-18(24)14-11-27-19(21-14)12-6-8-26-10-12/h4-6,8-11H,2-3,7H2,1H3,(H,20,24)
InChIKeyJTJGRIJXQCRZAQ-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.26
Rot. Bonds5

About N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 35387582) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID35387582
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC NameN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1N1CCCC1=O
InChIInChI=1S/C19H17N3O3S2/c1-25-16-5-4-13(9-15(16)22-7-2-3-17(22)23)20-18(24)14-11-27-19(21-14)12-6-8-26-10-12/h4-6,8-11H,2-3,7H2,1H3,(H,20,24)
InChIKeyJTJGRIJXQCRZAQ-UHFFFAOYSA-N
XLogP4.26
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 55940710
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 35387816
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935216
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
1-tert-butyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 47047172
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 35390097
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 35389984
N-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145624
N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 39471735
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
2,4-dichloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687863

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 35387582) is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1N1CCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is JTJGRIJXQCRZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c1-25-16-5-4-13(9-15(16)22-7-2-3-17(22)23)20-18(24)14-11-27-19(21-14)12-6-8-26-10-12/h4-6,8-11H,2-3,7H2,1H3,(H,20,24).
What are the key properties of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 35387582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).