N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide

C20H14N6OS — CID 138589377

IUPACN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)c4ccc5scnc5c4)cc3c2)cn1
InChIInChI=1S/C20H14N6OS/c1-26-10-15(9-22-26)12-2-4-16-14(6-12)8-19(25-24-16)23-20(27)13-3-5-18-17(7-13)21-11-28-18/h2-11H,1H3,(H,23,25,27)
InChIKeyONYBBIVYBZXHEY-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.89
Rot. Bonds3

About N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide

N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide (PubChem CID 138589377) has the molecular formula C20H14N6OS and a molecular weight of 386.44 g/mol. Its IUPAC name is N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide
PubChem CID138589377
Molecular FormulaC20H14N6OS
Molecular Weight386.44 g/mol
Exact Mass386.09
IUPAC NameN-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)c4ccc5scnc5c4)cc3c2)cn1
InChIInChI=1S/C20H14N6OS/c1-26-10-15(9-22-26)12-2-4-16-14(6-12)8-19(25-24-16)23-20(27)13-3-5-18-17(7-13)21-11-28-18/h2-11H,1H3,(H,23,25,27)
InChIKeyONYBBIVYBZXHEY-UHFFFAOYSA-N
XLogP3.89
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide
CID 138588149
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide
CID 138587835
2-methyl-6-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138590175
2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138588588
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138588309
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138591284
4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138591121
4-amino-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138590409
2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138590694
1-(1,3-benzothiazol-5-yl)-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 160883292
2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138588375
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 138588367

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide (CID 138589377) is N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide is Cn1cc(-c2ccc3nnc(NC(=O)c4ccc5scnc5c4)cc3c2)cn1.
What is the InChIKey of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide?
The InChIKey is ONYBBIVYBZXHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6OS/c1-26-10-15(9-22-26)12-2-4-16-14(6-12)8-19(25-24-16)23-20(27)13-3-5-18-17(7-13)21-11-28-18/h2-11H,1H3,(H,23,25,27).
What are the key properties of N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide?
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 138589377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).