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

C12H10N4OS — CID 674606

IUPACN-(1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C12H10N4OS/c1-16-9(6-7-13-16)11(17)15-12-14-8-4-2-3-5-10(8)18-12/h2-7H,1H3,(H,14,15,17)
InChIKeyUJDPJWCVFVUTAR-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.28
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 674606) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide
PubChem CID674606
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C12H10N4OS/c1-16-9(6-7-13-16)11(17)15-12-14-8-4-2-3-5-10(8)18-12/h2-7H,1H3,(H,14,15,17)
InChIKeyUJDPJWCVFVUTAR-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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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide (CID 674606) is N-(1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is UJDPJWCVFVUTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-16-9(6-7-13-16)11(17)15-12-14-8-4-2-3-5-10(8)18-12/h2-7H,1H3,(H,14,15,17).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-2-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)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 674606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).