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

C12H10N4OS — CID 4592878

IUPACN-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2nc3ccccc3s2)n1
InChIInChI=1S/C12H10N4OS/c1-16-7-6-9(15-16)11(17)14-12-13-8-4-2-3-5-10(8)18-12/h2-7H,1H3,(H,13,14,17)
InChIKeyFTZYACRVWOKLCH-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.28
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 4592878) 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-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID4592878
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2nc3ccccc3s2)n1
InChIInChI=1S/C12H10N4OS/c1-16-7-6-9(15-16)11(17)14-12-13-8-4-2-3-5-10(8)18-12/h2-7H,1H3,(H,13,14,17)
InChIKeyFTZYACRVWOKLCH-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-(1,3-benzothiazol-2-yl)-4-chloro-1-methylpyrazole-3-carboxamide
CID 749848
N-(1,3-benzothiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2369356
N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethyl-3-pyrazolecarboxamide
CID 2738514
4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide
CID 165415054
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]pyrazole-5-carboxamide
CID 165415088
4-chloro-N-{6-nitro-1,3-benzothiazol-2-yl}-1-methyl-1H-pyrazole-3-carboxamide
CID 741250
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 741252
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 741253
4-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 2102480
N-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2114872
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333
N-1,3-benzothiazol-2-yl-2-(3-nitro-1H-pyrazol-1-yl)acetamide
CID 1508883

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide (CID 4592878) is N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2nc3ccccc3s2)n1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is FTZYACRVWOKLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-16-7-6-9(15-16)11(17)14-12-13-8-4-2-3-5-10(8)18-12/h2-7H,1H3,(H,13,14,17).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-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-3-carboxamide is sourced from PubChem (CID 4592878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).