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

C22H16ClN3OS — CID 121086468

IUPAC1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)Nc1ccccc1Cl
InChIInChI=1S/C22H16ClN3OS/c23-18-11-4-5-12-19(18)26-22(27)24-17-10-6-9-16(13-17)20-14-28-21(25-20)15-7-2-1-3-8-15/h1-14H,(H2,24,26,27)
InChIKeyHNYWLCPXINMSJG-UHFFFAOYSA-N
MW405.91 g/mol
LogP6.77
Rot. Bonds4

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

1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea (PubChem CID 121086468) has the molecular formula C22H16ClN3OS and a molecular weight of 405.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
PubChem CID121086468
Molecular FormulaC22H16ClN3OS
Molecular Weight405.91 g/mol
Exact Mass405.07
IUPAC Name1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)Nc1ccccc1Cl
InChIInChI=1S/C22H16ClN3OS/c23-18-11-4-5-12-19(18)26-22(27)24-17-10-6-9-16(13-17)20-14-28-21(25-20)15-7-2-1-3-8-15/h1-14H,(H2,24,26,27)
InChIKeyHNYWLCPXINMSJG-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-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286137
1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135
1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086466
2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 23796735
1-(3-chloro-4-methylphenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286290
1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286299
2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286296
1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 122285973

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea (CID 121086468) is 1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea is O=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
The InChIKey is HNYWLCPXINMSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3OS/c23-18-11-4-5-12-19(18)26-22(27)24-17-10-6-9-16(13-17)20-14-28-21(25-20)15-7-2-1-3-8-15/h1-14H,(H2,24,26,27).
What are the key properties of 1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea 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-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea is sourced from PubChem (CID 121086468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).