1-(3-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea

C15H12ClN3OS2 — CID 2738836

IUPAC1-(3-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea
SMILESO=C(NCc1csc(-c2cccs2)n1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3OS2/c16-10-3-1-4-11(7-10)19-15(20)17-8-12-9-22-14(18-12)13-5-2-6-21-13/h1-7,9H,8H2,(H2,17,19,20)
InChIKeyZGNCERZWDFVUNM-UHFFFAOYSA-N
MW349.87 g/mol
LogP4.85
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea

1-(3-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 2738836) has the molecular formula C15H12ClN3OS2 and a molecular weight of 349.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea
PubChem CID2738836
Molecular FormulaC15H12ClN3OS2
Molecular Weight349.87 g/mol
Exact Mass349.01
IUPAC Name1-(3-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea
SMILESO=C(NCc1csc(-c2cccs2)n1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3OS2/c16-10-3-1-4-11(7-10)19-15(20)17-8-12-9-22-14(18-12)13-5-2-6-21-13/h1-7,9H,8H2,(H2,17,19,20)
InChIKeyZGNCERZWDFVUNM-UHFFFAOYSA-N
XLogP4.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)-2-thienyl]-N'-(3-chlorophenyl)urea
CID 2815636
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 5093386
2-(5-Chloro-benzothiazol-2-ylsulfanyl)-ethylamine-N-hydroxy-N-methyl carboxamide
CID 15005968
2-(7-Chloro-benzothiazol-2-ylsulfanyl)-ethylamine-N-methyl-N-hydroxy carboxamide
CID 15005975
2-(5-Chloro-benzothiazol-2-ylsulfanyl)-ethylamine-N-isopropyl-N-hydroxy carboxamide
CID 15005977
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}-N'-[4-(trifluoromethyl)phenyl]urea
CID 2738843
4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine
CID 2809410
1-(4-Chlorophenyl)-3-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]urea
CID 2744041
N-(4-chlorophenyl)-4-(thiophen-2-yl)-1,3-thiazol-2-amine
CID 746600
N-(2,4-difluorophenyl)-N'-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}urea
CID 2738841
1-(4-Chlorophenyl)-3-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]urea
CID 2740570
1-(4-Chlorophenyl)-3-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]urea
CID 4462727

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea (CID 2738836) is 1-(3-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea is O=C(NCc1csc(-c2cccs2)n1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is ZGNCERZWDFVUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS2/c16-10-3-1-4-11(7-10)19-15(20)17-8-12-9-22-14(18-12)13-5-2-6-21-13/h1-7,9H,8H2,(H2,17,19,20).
What are the key properties of 1-(3-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 349.87 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 2738836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).