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

C22H16ClN3OS — CID 108784173

IUPAC1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H16ClN3OS/c23-17-10-6-16(7-11-17)21-26-20(14-28-21)15-8-12-19(13-9-15)25-22(27)24-18-4-2-1-3-5-18/h1-14H,(H2,24,25,27)
InChIKeySIIJGNBJMQSMPM-UHFFFAOYSA-N
MW405.91 g/mol
LogP6.77
Rot. Bonds4

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

1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea (PubChem CID 108784173) has the molecular formula C22H16ClN3OS and a molecular weight of 405.91 g/mol. Its IUPAC name is 1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
PubChem CID108784173
Molecular FormulaC22H16ClN3OS
Molecular Weight405.91 g/mol
Exact Mass405.07
IUPAC Name1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H16ClN3OS/c23-17-10-6-16(7-11-17)21-26-20(14-28-21)15-8-12-19(13-9-15)25-22(27)24-18-4-2-1-3-5-18/h1-14H,(H2,24,25,27)
InChIKeySIIJGNBJMQSMPM-UHFFFAOYSA-N
XLogP6.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.91
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748184
1-(3-chloro-4-methylphenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286290
1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea
CID 121080622
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide
CID 108748251
1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286299
1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286296
1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]pentanamide
CID 108748145
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3,4-trifluorobenzamide
CID 108748174
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide
CID 108748167

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea (CID 108784173) is 1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea?
The InChIKey is SIIJGNBJMQSMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3OS/c23-17-10-6-16(7-11-17)21-26-20(14-28-21)15-8-12-19(13-9-15)25-22(27)24-18-4-2-1-3-5-18/h1-14H,(H2,24,25,27).
What are the key properties of 1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea?
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea has a molecular weight of 405.91 g/mol, XLogP of 6.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea is sourced from PubChem (CID 108784173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).