1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea

C12H8FN3OS2 — CID 121082399

IUPAC1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)Nc1nc2c(F)cccc2s1
InChIInChI=1S/C12H8FN3OS2/c13-7-3-1-4-8-10(7)15-12(19-8)16-11(17)14-9-5-2-6-18-9/h1-6H,(H2,14,15,16,17)
InChIKeyLAYTUAINZKMAFU-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.14
Rot. Bonds2

About 1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea

1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea (PubChem CID 121082399) has the molecular formula C12H8FN3OS2 and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
PubChem CID121082399
Molecular FormulaC12H8FN3OS2
Molecular Weight293.35 g/mol
Exact Mass293.01
IUPAC Name1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)Nc1nc2c(F)cccc2s1
InChIInChI=1S/C12H8FN3OS2/c13-7-3-1-4-8-10(7)15-12(19-8)16-11(17)14-9-5-2-6-18-9/h1-6H,(H2,14,15,16,17)
InChIKeyLAYTUAINZKMAFU-UHFFFAOYSA-N
XLogP4.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
CID 121082548
1-(3,5-dimethylphenyl)-3-(4-fluoro-1,3-benzothiazol-2-yl)urea
CID 121080751
1-benzhydryl-3-(4-fluoro-1,3-benzothiazol-2-yl)urea
CID 121082406
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea
CID 110706893
N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 7193256
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide
CID 53269300
1-(2,6-difluorophenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121082734
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
CID 7193259
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830554
2-[(4-fluoro-1,3-benzothiazol-2-yl)amino]acetic acid
CID 82192868
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea
CID 121082547

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea (CID 121082399) is 1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea is O=C(Nc1cccs1)Nc1nc2c(F)cccc2s1.
What is the InChIKey of 1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea?
The InChIKey is LAYTUAINZKMAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3OS2/c13-7-3-1-4-8-10(7)15-12(19-8)16-11(17)14-9-5-2-6-18-9/h1-6H,(H2,14,15,16,17).
What are the key properties of 1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea?
1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea has a molecular weight of 293.35 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea is sourced from PubChem (CID 121082399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).