1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea

C16H14FN3OS — CID 121082547

IUPAC1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea
SMILESCCc1cccc2sc(NC(=O)Nc3ccccc3F)nc12
InChIInChI=1S/C16H14FN3OS/c1-2-10-6-5-9-13-14(10)19-16(22-13)20-15(21)18-12-8-4-3-7-11(12)17/h3-9H,2H2,1H3,(H2,18,19,20,21)
InChIKeyFNUYZDRPESIQSI-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.64
Rot. Bonds3

About 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea

1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea (PubChem CID 121082547) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea
PubChem CID121082547
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea
SMILESCCc1cccc2sc(NC(=O)Nc3ccccc3F)nc12
InChIInChI=1S/C16H14FN3OS/c1-2-10-6-5-9-13-14(10)19-16(22-13)20-15(21)18-12-8-4-3-7-11(12)17/h3-9H,2H2,1H3,(H2,18,19,20,21)
InChIKeyFNUYZDRPESIQSI-UHFFFAOYSA-N
XLogP4.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 121080923
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
CID 121082548
(4-ethyl-1,3-benzothiazol-2-yl)thiourea
CID 30032212
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7202698
N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 7193256
1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
CID 46193181
3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 7202745
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenoxybenzamide
CID 41235427
N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7295135
1-(2,6-difluorophenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121082734
1-(3,5-dimethylphenyl)-3-(4-fluoro-1,3-benzothiazol-2-yl)urea
CID 121080751
2-ethylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 134699243

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea (CID 121082547) is 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea is CCc1cccc2sc(NC(=O)Nc3ccccc3F)nc12.
What is the InChIKey of 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea?
The InChIKey is FNUYZDRPESIQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-2-10-6-5-9-13-14(10)19-16(22-13)20-15(21)18-12-8-4-3-7-11(12)17/h3-9H,2H2,1H3,(H2,18,19,20,21).
What are the key properties of 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea?
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea has a molecular weight of 315.37 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 121082547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).