N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide

C12H9ClN4OS — CID 131925440

IUPACN-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccc2scnc2c1
InChIInChI=1S/C12H9ClN4OS/c1-17-11(8(13)5-15-17)12(18)16-7-2-3-10-9(4-7)14-6-19-10/h2-6H,1H3,(H,16,18)
InChIKeyRSHPWSQOGBXOFL-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.94
Rot. Bonds2

About N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide

N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide (PubChem CID 131925440) has the molecular formula C12H9ClN4OS and a molecular weight of 292.75 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide
PubChem CID131925440
Molecular FormulaC12H9ClN4OS
Molecular Weight292.75 g/mol
Exact Mass292.02
IUPAC NameN-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccc2scnc2c1
InChIInChI=1S/C12H9ClN4OS/c1-17-11(8(13)5-15-17)12(18)16-7-2-3-10-9(4-7)14-6-19-10/h2-6H,1H3,(H,16,18)
InChIKeyRSHPWSQOGBXOFL-UHFFFAOYSA-N
XLogP2.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
CID 16804006
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 50981583
N-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide
CID 112525687
4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide
CID 19475780
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide
CID 131940972
N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide
CID 16811077
4-chloro-N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-6-yl]-1-methylpyrazole-5-carboxamide
CID 3135661
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505
N-(1,3-benzothiazol-5-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 131889264

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide (CID 131925440) is N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1ccc2scnc2c1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide?
The InChIKey is RSHPWSQOGBXOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4OS/c1-17-11(8(13)5-15-17)12(18)16-7-2-3-10-9(4-7)14-6-19-10/h2-6H,1H3,(H,16,18).
What are the key properties of N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide?
N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide has a molecular weight of 292.75 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 131925440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).