2,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide

C13H7Cl2FN2OS2 — CID 3263872

IUPAC2,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
SMILESCn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2cc(F)ccc21
InChIInChI=1S/C13H7Cl2FN2OS2/c1-18-8-3-2-6(16)4-9(8)20-13(18)17-12(19)7-5-10(14)21-11(7)15/h2-5H,1H3/b17-13-
InChIKeyBEAWZVQRIXDNRI-LGMDPLHJSA-N
MW361.25 g/mol
LogP4.49
Rot. Bonds1

About 2,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide

2,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide (PubChem CID 3263872) has the molecular formula C13H7Cl2FN2OS2 and a molecular weight of 361.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
PubChem CID3263872
Molecular FormulaC13H7Cl2FN2OS2
Molecular Weight361.25 g/mol
Exact Mass359.94
IUPAC Name2,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
SMILESCn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2cc(F)ccc21
InChIInChI=1S/C13H7Cl2FN2OS2/c1-18-8-3-2-6(16)4-9(8)20-13(18)17-12(19)7-5-10(14)21-11(7)15/h2-5H,1H3/b17-13-
InChIKeyBEAWZVQRIXDNRI-LGMDPLHJSA-N
XLogP4.49
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide (CID 3263872) is 2,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide is Cn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2cc(F)ccc21.
What is the InChIKey of 2,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide?
The InChIKey is BEAWZVQRIXDNRI-LGMDPLHJSA-N. The full InChI is InChI=1S/C13H7Cl2FN2OS2/c1-18-8-3-2-6(16)4-9(8)20-13(18)17-12(19)7-5-10(14)21-11(7)15/h2-5H,1H3/b17-13-.
What are the key properties of 2,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide?
2,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide has a molecular weight of 361.25 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide is sourced from PubChem (CID 3263872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).