1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea

C22H16FN3OS — CID 10691756

IUPAC1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea
SMILESO=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)Nc1ccccc1F
InChIInChI=1S/C22H16FN3OS/c23-17-13-7-8-14-18(17)24-21(27)26-22-25-19(15-9-3-1-4-10-15)20(28-22)16-11-5-2-6-12-16/h1-14H,(H2,24,25,26,27)
InChIKeyNERFPUNDVSONJZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP6.26
Rot. Bonds4

About 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea

1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea (PubChem CID 10691756) has the molecular formula C22H16FN3OS and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea
PubChem CID10691756
Molecular FormulaC22H16FN3OS
Molecular Weight389.46 g/mol
Exact Mass389.10
IUPAC Name1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea
SMILESO=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)Nc1ccccc1F
InChIInChI=1S/C22H16FN3OS/c23-17-13-7-8-14-18(17)24-21(27)26-22-25-19(15-9-3-1-4-10-15)20(28-22)16-11-5-2-6-12-16/h1-14H,(H2,24,25,26,27)
InChIKeyNERFPUNDVSONJZ-UHFFFAOYSA-N
XLogP6.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 126062830
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea
CID 35024520
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
1-(2-fluorophenyl)-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea
CID 90625544
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
CID 43980747
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea
CID 121082547
2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
CID 4307755
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea (CID 10691756) is 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea is O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)Nc1ccccc1F.
What is the InChIKey of 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea?
The InChIKey is NERFPUNDVSONJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3OS/c23-17-13-7-8-14-18(17)24-21(27)26-22-25-19(15-9-3-1-4-10-15)20(28-22)16-11-5-2-6-12-16/h1-14H,(H2,24,25,26,27).
What are the key properties of 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea?
1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea has a molecular weight of 389.46 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 10691756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).