1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea

C17H14ClN3O2S — CID 20896160

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H14ClN3O2S/c1-23-15-8-7-12(18)9-13(15)19-16(22)21-17-20-14(10-24-17)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyKHMSQAHZBWPJSC-UHFFFAOYSA-N
MW359.84 g/mol
LogP5.12
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea

1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 20896160) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
PubChem CID20896160
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H14ClN3O2S/c1-23-15-8-7-12(18)9-13(15)19-16(22)21-17-20-14(10-24-17)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyKHMSQAHZBWPJSC-UHFFFAOYSA-N
XLogP5.12
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.84
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2563340
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 24560992
2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2917163
2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 4192388
1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 46192880
1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
2-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 100801615
2-(2-bromo-4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202180
2-(5-chloro-2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171133880
1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 17217807
N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 55704407

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea (CID 20896160) is 1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea is COc1ccc(Cl)cc1NC(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is KHMSQAHZBWPJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-23-15-8-7-12(18)9-13(15)19-16(22)21-17-20-14(10-24-17)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21,22).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 359.84 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 20896160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).