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

C19H18FN3OS — CID 47093348

IUPAC1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
SMILESCc1ccc(-c2nc(CCNC(=O)Nc3ccccc3F)cs2)cc1
InChIInChI=1S/C19H18FN3OS/c1-13-6-8-14(9-7-13)18-22-15(12-25-18)10-11-21-19(24)23-17-5-3-2-4-16(17)20/h2-9,12H,10-11H2,1H3,(H2,21,23,24)
InChIKeyYJQDPZGDENCYEU-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.62
Rot. Bonds5

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

1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea (PubChem CID 47093348) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
PubChem CID47093348
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
SMILESCc1ccc(-c2nc(CCNC(=O)Nc3ccccc3F)cs2)cc1
InChIInChI=1S/C19H18FN3OS/c1-13-6-8-14(9-7-13)18-22-15(12-25-18)10-11-21-19(24)23-17-5-3-2-4-16(17)20/h2-9,12H,10-11H2,1H3,(H2,21,23,24)
InChIKeyYJQDPZGDENCYEU-UHFFFAOYSA-N
XLogP4.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-ethylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287568
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
1-(2-chloro-4-fluorophenyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 78894091
N'-(4-methylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287534
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317361
3-chloro-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzothiophene-2-carboxamide
CID 23613140
4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287449
3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287435
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-methylphenyl)oxamide
CID 7216639
N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7522151
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 97030329

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea (CID 47093348) is 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea is Cc1ccc(-c2nc(CCNC(=O)Nc3ccccc3F)cs2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea?
The InChIKey is YJQDPZGDENCYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-13-6-8-14(9-7-13)18-22-15(12-25-18)10-11-21-19(24)23-17-5-3-2-4-16(17)20/h2-9,12H,10-11H2,1H3,(H2,21,23,24).
What are the key properties of 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea?
1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea has a molecular weight of 355.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea is sourced from PubChem (CID 47093348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).