1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea

C19H17ClFN3OS — CID 71795660

IUPAC1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H17ClFN3OS/c1-12-17(26-18(24-12)15-4-2-3-5-16(15)20)11-23-19(25)22-10-13-6-8-14(21)9-7-13/h2-9H,10-11H2,1H3,(H2,22,23,25)
InChIKeyCITVHIFYWKEZES-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.91
Rot. Bonds5

About 1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea

1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 71795660) has the molecular formula C19H17ClFN3OS and a molecular weight of 389.88 g/mol. Its IUPAC name is 1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID71795660
Molecular FormulaC19H17ClFN3OS
Molecular Weight389.88 g/mol
Exact Mass389.08
IUPAC Name1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H17ClFN3OS/c1-12-17(26-18(24-12)15-4-2-3-5-16(15)20)11-23-19(25)22-10-13-6-8-14(21)9-7-13/h2-9H,10-11H2,1H3,(H2,22,23,25)
InChIKeyCITVHIFYWKEZES-UHFFFAOYSA-N
XLogP4.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
CID 71795664
1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123297
1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea
CID 110645409
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,5-dimethoxyphenyl)urea
CID 121123332
1-[(4-fluorophenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795691
1-(3-chloro-4-methylphenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123341
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 71795614
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62402688
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide
CID 121123060
2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 71795631
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 121123145
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084095

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea (CID 71795660) is 1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea is Cc1nc(-c2ccccc2Cl)sc1CNC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is CITVHIFYWKEZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3OS/c1-12-17(26-18(24-12)15-4-2-3-5-16(15)20)11-23-19(25)22-10-13-6-8-14(21)9-7-13/h2-9H,10-11H2,1H3,(H2,22,23,25).
What are the key properties of 1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea?
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 389.88 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 71795660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).