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

C16H11Cl2N3OS — CID 1358512

IUPAC1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H11Cl2N3OS/c17-11-6-4-10(5-7-11)14-9-23-16(20-14)21-15(22)19-13-3-1-2-12(18)8-13/h1-9H,(H2,19,20,21,22)
InChIKeyZVEIMEWQSLJRLQ-UHFFFAOYSA-N
MW364.26 g/mol
LogP5.76
Rot. Bonds3

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

1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea (PubChem CID 1358512) has the molecular formula C16H11Cl2N3OS and a molecular weight of 364.26 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea
PubChem CID1358512
Molecular FormulaC16H11Cl2N3OS
Molecular Weight364.26 g/mol
Exact Mass363.00
IUPAC Name1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H11Cl2N3OS/c17-11-6-4-10(5-7-11)14-9-23-16(20-14)21-15(22)19-13-3-1-2-12(18)8-13/h1-9H,(H2,19,20,21,22)
InChIKeyZVEIMEWQSLJRLQ-UHFFFAOYSA-N
XLogP5.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.26
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea (CID 1358512) is 1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea is O=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea?
The InChIKey is ZVEIMEWQSLJRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3OS/c17-11-6-4-10(5-7-11)14-9-23-16(20-14)21-15(22)19-13-3-1-2-12(18)8-13/h1-9H,(H2,19,20,21,22).
What are the key properties of 1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea?
1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea has a molecular weight of 364.26 g/mol, XLogP of 5.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 1358512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).