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

C16H12ClN3OS — CID 897193

IUPAC1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H12ClN3OS/c17-12-8-6-11(7-9-12)14-10-22-16(19-14)20-15(21)18-13-4-2-1-3-5-13/h1-10H,(H2,18,19,20,21)
InChIKeyFUKVIPWUDGTFMX-UHFFFAOYSA-N
MW329.81 g/mol
LogP5.11
Rot. Bonds3

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

1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea (PubChem CID 897193) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea
PubChem CID897193
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H12ClN3OS/c17-12-8-6-11(7-9-12)14-10-22-16(19-14)20-15(21)18-13-4-2-1-3-5-13/h1-10H,(H2,18,19,20,21)
InChIKeyFUKVIPWUDGTFMX-UHFFFAOYSA-N
XLogP5.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.81
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea?
The IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea (CID 897193) is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea?
The canonical SMILES for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea?
The InChIKey is FUKVIPWUDGTFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c17-12-8-6-11(7-9-12)14-10-22-16(19-14)20-15(21)18-13-4-2-1-3-5-13/h1-10H,(H2,18,19,20,21).
What are the key properties of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea?
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea has a molecular weight of 329.81 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea is sourced from PubChem (CID 897193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).