2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole

C9H4ClF2NS — CID 23235042

IUPAC2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole
SMILESF/C(Cl)=C(/F)c1nc2ccccc2s1
InChIInChI=1S/C9H4ClF2NS/c10-8(12)7(11)9-13-5-3-1-2-4-6(5)14-9/h1-4H/b8-7+
InChIKeySZSNTIZXKQKWSO-BQYQJAHWSA-N
MW231.65 g/mol
LogP4.10
Rot. Bonds1

About 2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole

2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole (PubChem CID 23235042) has the molecular formula C9H4ClF2NS and a molecular weight of 231.65 g/mol. Its IUPAC name is 2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole
PubChem CID23235042
Molecular FormulaC9H4ClF2NS
Molecular Weight231.65 g/mol
Exact Mass230.97
IUPAC Name2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole
SMILESF/C(Cl)=C(/F)c1nc2ccccc2s1
InChIInChI=1S/C9H4ClF2NS/c10-8(12)7(11)9-13-5-3-1-2-4-6(5)14-9/h1-4H/b8-7+
InChIKeySZSNTIZXKQKWSO-BQYQJAHWSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-hydroxy-1,3-benzothiazole-2-carboximidoyl chloride
CID 137226109
N-[(E)-1,2-bis(1,3-benzothiazol-2-yl)-2-fluoroethenyl]-2-methylpropane-2-sulfinamide
CID 122223575
2-(3-methylbut-1-en-2-yl)-1,3-benzothiazole
CID 163918945
1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone
CID 83393932
sulfanyl 1,3-benzothiazole-2-carboxylate
CID 87987373
1-(1,3-benzothiazol-2-yl)-3-hydroxyprop-2-en-1-one
CID 51508743
1,3-benzothiazole-2-carbonyl(methanidyl)azanium
CID 59280493
1,3-benzothiazol-2-yl(thiophen-3-yl)methanone
CID 102192370
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
2-(1,3-benzothiazol-2-yl)-2-hydroxyiminoacetonitrile
CID 686137
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-(2-chlorophenyl)-1,3-benzothiazole-2-carbothioamide
CID 886218

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole (CID 23235042) is 2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole is F/C(Cl)=C(/F)c1nc2ccccc2s1.
What is the InChIKey of 2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole?
The InChIKey is SZSNTIZXKQKWSO-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H4ClF2NS/c10-8(12)7(11)9-13-5-3-1-2-4-6(5)14-9/h1-4H/b8-7+.
What are the key properties of 2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole?
2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole has a molecular weight of 231.65 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-chloro-1,2-difluoroethenyl]-1,3-benzothiazole is sourced from PubChem (CID 23235042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).