N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide

C12H10N4OS — CID 35294982

IUPACN-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nc3ccccc3s2)cn1
InChIInChI=1S/C12H10N4OS/c1-16-7-8(6-13-16)11(17)15-12-14-9-4-2-3-5-10(9)18-12/h2-7H,1H3,(H,14,15,17)
InChIKeyVZHZWUZEDPITLI-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.28
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide

N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 35294982) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID35294982
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nc3ccccc3s2)cn1
InChIInChI=1S/C12H10N4OS/c1-16-7-8(6-13-16)11(17)15-12-14-9-4-2-3-5-10(9)18-12/h2-7H,1H3,(H,14,15,17)
InChIKeyVZHZWUZEDPITLI-UHFFFAOYSA-N
XLogP2.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 28742337
4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355063
N-(1,3-benzothiazol-2-yl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 1019747
N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 110467037
3,5-diacetamido-N-(1,3-benzothiazol-2-yl)benzamide
CID 35997967
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 17476486
N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1248679
N-(1,3-benzothiazol-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51054043
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 16952689

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide (CID 35294982) is N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2nc3ccccc3s2)cn1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is VZHZWUZEDPITLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-16-7-8(6-13-16)11(17)15-12-14-9-4-2-3-5-10(9)18-12/h2-7H,1H3,(H,14,15,17).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 258.31 g/mol, XLogP of 2.28, 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-2-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 35294982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).