N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

C13H8F2N2OS2 — CID 5083424

IUPACN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCn1/c(=N/C(=O)c2cccs2)sc2cc(F)cc(F)c21
InChIInChI=1S/C13H8F2N2OS2/c1-17-11-8(15)5-7(14)6-10(11)20-13(17)16-12(18)9-3-2-4-19-9/h2-6H,1H3/b16-13-
InChIKeyITYHHDDKKYSFKZ-SSZFMOIBSA-N
MW310.35 g/mol
LogP3.32
Rot. Bonds1

About N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 5083424) has the molecular formula C13H8F2N2OS2 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID5083424
Molecular FormulaC13H8F2N2OS2
Molecular Weight310.35 g/mol
Exact Mass310.00
IUPAC NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCn1/c(=N/C(=O)c2cccs2)sc2cc(F)cc(F)c21
InChIInChI=1S/C13H8F2N2OS2/c1-17-11-8(15)5-7(14)6-10(11)20-13(17)16-12(18)9-3-2-4-19-9/h2-6H,1H3/b16-13-
InChIKeyITYHHDDKKYSFKZ-SSZFMOIBSA-N
XLogP3.32
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide
CID 4594721
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151023
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40885597
N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 4102190
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 40885678
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide
CID 2151033
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
CID 7152717
(Z)-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 40885580
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 2159195
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-5-nitrofuran-2-carboxamide
CID 5083433
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)pentanamide
CID 2151120
2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151133

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 5083424) is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is Cn1/c(=N/C(=O)c2cccs2)sc2cc(F)cc(F)c21.
What is the InChIKey of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is ITYHHDDKKYSFKZ-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H8F2N2OS2/c1-17-11-8(15)5-7(14)6-10(11)20-13(17)16-12(18)9-3-2-4-19-9/h2-6H,1H3/b16-13-.
What are the key properties of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 5083424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).