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

C17H14FN3OS — CID 90626921

IUPAC1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
SMILESCc1nc(-c2ccccc2NC(=O)Nc2ccc(F)cc2)cs1
InChIInChI=1S/C17H14FN3OS/c1-11-19-16(10-23-11)14-4-2-3-5-15(14)21-17(22)20-13-8-6-12(18)7-9-13/h2-10H,1H3,(H2,20,21,22)
InChIKeyCTNYTLJROALJHG-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.90
Rot. Bonds3

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

1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea (PubChem CID 90626921) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
PubChem CID90626921
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
SMILESCc1nc(-c2ccccc2NC(=O)Nc2ccc(F)cc2)cs1
InChIInChI=1S/C17H14FN3OS/c1-11-19-16(10-23-11)14-4-2-3-5-15(14)21-17(22)20-13-8-6-12(18)7-9-13/h2-10H,1H3,(H2,20,21,22)
InChIKeyCTNYTLJROALJHG-UHFFFAOYSA-N
XLogP4.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 90626924
1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea
CID 90626941
2,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626068
2-(2-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 90626191
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 90626104
1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea
CID 121149602
[2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 169357373
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide
CID 90626222
1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 124888592
3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626115
1-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)urea
CID 121149497

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea (CID 90626921) is 1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea is Cc1nc(-c2ccccc2NC(=O)Nc2ccc(F)cc2)cs1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea?
The InChIKey is CTNYTLJROALJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-11-19-16(10-23-11)14-4-2-3-5-15(14)21-17(22)20-13-8-6-12(18)7-9-13/h2-10H,1H3,(H2,20,21,22).
What are the key properties of 1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea?
1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea has a molecular weight of 327.38 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea is sourced from PubChem (CID 90626921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).