1-(1,3-benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea

C14H9F2N3OS — CID 929625

IUPAC1-(1,3-benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1nc2ccccc2s1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H9F2N3OS/c15-8-5-6-10(9(16)7-8)17-13(20)19-14-18-11-3-1-2-4-12(11)21-14/h1-7H,(H2,17,18,19,20)
InChIKeyGFBFLPIKCGPYJK-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.22
Rot. Bonds2

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

1-(1,3-benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea (PubChem CID 929625) has the molecular formula C14H9F2N3OS and a molecular weight of 305.31 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea
PubChem CID929625
Molecular FormulaC14H9F2N3OS
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1nc2ccccc2s1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H9F2N3OS/c15-8-5-6-10(9(16)7-8)17-13(20)19-14-18-11-3-1-2-4-12(11)21-14/h1-7H,(H2,17,18,19,20)
InChIKeyGFBFLPIKCGPYJK-UHFFFAOYSA-N
XLogP4.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzo(d)thiazol-2-amine
CID 8706
Methabenzthiazuron
CID 29216
2,6-Benzothiazolediamine
CID 21504
Benzthiazuron
CID 16007
2-Piperazin-1-yl-1,3-benzothiazole
CID 592122
2-Amino-6-fluorobenzothiazole
CID 319954
N-(4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 2360905
2-Guanidinobenzothiazole
CID 17415
N-Methylbenzothiazol-2-amine
CID 28160
Anilinobenzothiazole
CID 230981
2-Amino-6-(trifluoromethylthio)benzothiazole
CID 2735964
Bentaluron
CID 4408229

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea (CID 929625) is 1-(1,3-benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea is O=C(Nc1nc2ccccc2s1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea?
The InChIKey is GFBFLPIKCGPYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3OS/c15-8-5-6-10(9(16)7-8)17-13(20)19-14-18-11-3-1-2-4-12(11)21-14/h1-7H,(H2,17,18,19,20).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea?
1-(1,3-benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea has a molecular weight of 305.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 929625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).