N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide

C13H10F2N4OS — CID 16809678

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(F)cc(F)cc3s2)nn1C
InChIInChI=1S/C13H10F2N4OS/c1-6-3-9(18-19(6)2)12(20)17-13-16-11-8(15)4-7(14)5-10(11)21-13/h3-5H,1-2H3,(H,16,17,20)
InChIKeyQQPGZJYTLHLJRA-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.87
Rot. Bonds2

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 16809678) has the molecular formula C13H10F2N4OS and a molecular weight of 308.31 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID16809678
Molecular FormulaC13H10F2N4OS
Molecular Weight308.31 g/mol
Exact Mass308.05
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(F)cc(F)cc3s2)nn1C
InChIInChI=1S/C13H10F2N4OS/c1-6-3-9(18-19(6)2)12(20)17-13-16-11-8(15)4-7(14)5-10(11)21-13/h3-5H,1-2H3,(H,16,17,20)
InChIKeyQQPGZJYTLHLJRA-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 163344155
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43989296
1,5-dimethyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide
CID 16952089
1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2429755
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 7267144
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 17421640
1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 167906110
N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 2150798
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 16847495
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 5131349
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide
CID 162345703
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848813

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide (CID 16809678) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3c(F)cc(F)cc3s2)nn1C.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is QQPGZJYTLHLJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4OS/c1-6-3-9(18-19(6)2)12(20)17-13-16-11-8(15)4-7(14)5-10(11)21-13/h3-5H,1-2H3,(H,16,17,20).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 308.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 16809678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).