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

C15H11N5OS2 — CID 42110481

IUPACN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1nc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C15H11N5OS2/c1-20-11(6-7-16-20)13(21)19-15-18-10(8-22-15)14-17-9-4-2-3-5-12(9)23-14/h2-8H,1H3,(H,18,19,21)
InChIKeyNSHNNGPYBSRWRF-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.41
Rot. Bonds3

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

N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 42110481) has the molecular formula C15H11N5OS2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID42110481
Molecular FormulaC15H11N5OS2
Molecular Weight341.42 g/mol
Exact Mass341.04
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1nc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C15H11N5OS2/c1-20-11(6-7-16-20)13(21)19-15-18-10(8-22-15)14-17-9-4-2-3-5-12(9)23-14/h2-8H,1H3,(H,18,19,21)
InChIKeyNSHNNGPYBSRWRF-UHFFFAOYSA-N
XLogP3.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
CID 25284529
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 4673623
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718110
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 42223983
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
CID 4132474
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 4188758
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110479
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 64558266
2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18858969
N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide
CID 166870985
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide
CID 4185251
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041363

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide (CID 42110481) is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1nc(-c2nc3ccccc3s2)cs1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is NSHNNGPYBSRWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS2/c1-20-11(6-7-16-20)13(21)19-15-18-10(8-22-15)14-17-9-4-2-3-5-12(9)23-14/h2-8H,1H3,(H,18,19,21).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42110481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).