2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide

C18H13ClN4O3S2 — CID 60583658

IUPAC2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C18H13ClN4O3S2/c19-14-5-4-13(28-14)17-22-12(9-27-17)16(25)21-11-3-1-2-10(6-11)8-23-15(24)7-20-18(23)26/h1-6,9H,7-8H2,(H,20,26)(H,21,25)
InChIKeyOODXRABUYZXSTR-UHFFFAOYSA-N
MW432.91 g/mol
LogP3.83
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 60583658) has the molecular formula C18H13ClN4O3S2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID60583658
Molecular FormulaC18H13ClN4O3S2
Molecular Weight432.91 g/mol
Exact Mass432.01
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C18H13ClN4O3S2/c19-14-5-4-13(28-14)17-22-12(9-27-17)16(25)21-11-3-1-2-10(6-11)8-23-15(24)7-20-18(23)26/h1-6,9H,7-8H2,(H,20,26)(H,21,25)
InChIKeyOODXRABUYZXSTR-UHFFFAOYSA-N
XLogP3.83
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 47054951
4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 60509721
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride
CID 119722221
ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate
CID 60584119
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55617249
3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide
CID 71889492
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 119288680
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617224
1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide
CID 55617368
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617218
2-[(2-chlorophenyl)methoxy]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 47054953
1-[(2-chlorophenyl)methyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 47026683

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide (CID 60583658) is 2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1csc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OODXRABUYZXSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3S2/c19-14-5-4-13(28-14)17-22-12(9-27-17)16(25)21-11-3-1-2-10(6-11)8-23-15(24)7-20-18(23)26/h1-6,9H,7-8H2,(H,20,26)(H,21,25).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 432.91 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 60583658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).