1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea

C18H15ClFN3OS — CID 78894091

IUPAC1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1csc(-c2ccccc2)n1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C18H15ClFN3OS/c19-15-10-13(20)6-7-16(15)23-18(24)21-9-8-14-11-25-17(22-14)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H2,21,23,24)
InChIKeyHIRFLSJYVQEIOD-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.97
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea

1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 78894091) has the molecular formula C18H15ClFN3OS and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID78894091
Molecular FormulaC18H15ClFN3OS
Molecular Weight375.86 g/mol
Exact Mass375.06
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1csc(-c2ccccc2)n1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C18H15ClFN3OS/c19-15-10-13(20)6-7-16(15)23-18(24)21-9-8-14-11-25-17(22-14)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H2,21,23,24)
InChIKeyHIRFLSJYVQEIOD-UHFFFAOYSA-N
XLogP4.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 47093348
N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7522151
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide
CID 7522158
1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 51710217
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
CID 7522122
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 97030329
2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7518421
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 110284938
1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea
CID 110285049
2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea (CID 78894091) is 1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea is O=C(NCCc1csc(-c2ccccc2)n1)Nc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is HIRFLSJYVQEIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3OS/c19-15-10-13(20)6-7-16(15)23-18(24)21-9-8-14-11-25-17(22-14)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H2,21,23,24).
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 375.86 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 78894091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).