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

C16H12ClN3OS — CID 135376255

IUPAC1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cscn2)c1
InChIInChI=1S/C16H12ClN3OS/c17-12-4-6-13(7-5-12)19-16(21)20-14-3-1-2-11(8-14)15-9-22-10-18-15/h1-10H,(H2,19,20,21)
InChIKeyRQPWMOJUTHPFSM-UHFFFAOYSA-N
MW329.81 g/mol
LogP5.11
Rot. Bonds3

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

1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea (PubChem CID 135376255) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
PubChem CID135376255
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC Name1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cscn2)c1
InChIInChI=1S/C16H12ClN3OS/c17-12-4-6-13(7-5-12)19-16(21)20-14-3-1-2-11(8-14)15-9-22-10-18-15/h1-10H,(H2,19,20,21)
InChIKeyRQPWMOJUTHPFSM-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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Related Compounds

1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 72847558
1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea
CID 135376465
1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea
CID 135376412
1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea
CID 144796939
3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide
CID 29088076
1-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 97437562
1-[(3S)-1-oxaspiro[4.4]nonan-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 97437563
1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea
CID 118716100
1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea
CID 68952217
CID 123176042
CID 123176042
2-chloro-N-[4-(1,3-thiazol-4-yl)phenyl]benzamide
CID 67321630
1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46377439

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea (CID 135376255) is 1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cscn2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea?
The InChIKey is RQPWMOJUTHPFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c17-12-4-6-13(7-5-12)19-16(21)20-14-3-1-2-11(8-14)15-9-22-10-18-15/h1-10H,(H2,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea 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-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea is sourced from PubChem (CID 135376255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).