1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea

C15H11ClN4O2S2 — CID 2743958

IUPAC1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1csc(-c2cccs2)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN4O2S2/c16-9-3-5-10(6-4-9)17-15(22)20-19-13(21)11-8-24-14(18-11)12-2-1-7-23-12/h1-8H,(H,19,21)(H2,17,20,22)
InChIKeyISMFNTAFPCBTIR-UHFFFAOYSA-N
MW378.87 g/mol
LogP3.99
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea

1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea (PubChem CID 2743958) has the molecular formula C15H11ClN4O2S2 and a molecular weight of 378.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea
PubChem CID2743958
Molecular FormulaC15H11ClN4O2S2
Molecular Weight378.87 g/mol
Exact Mass378.00
IUPAC Name1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1csc(-c2cccs2)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN4O2S2/c16-9-3-5-10(6-4-9)17-15(22)20-19-13(21)11-8-24-14(18-11)12-2-1-7-23-12/h1-8H,(H,19,21)(H2,17,20,22)
InChIKeyISMFNTAFPCBTIR-UHFFFAOYSA-N
XLogP3.99
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.87
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 38197538
N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 41266351
N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 43032437
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 27826298
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55907163
2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46803554
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27825760
N-[4-(morpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 86911319
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9265979
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea (CID 2743958) is 1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea is O=C(NNC(=O)c1csc(-c2cccs2)n1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea?
The InChIKey is ISMFNTAFPCBTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2S2/c16-9-3-5-10(6-4-9)17-15(22)20-19-13(21)11-8-24-14(18-11)12-2-1-7-23-12/h1-8H,(H,19,21)(H2,17,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea?
1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea has a molecular weight of 378.87 g/mol, XLogP of 3.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea is sourced from PubChem (CID 2743958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).