N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1,3-benzothiazole-6-carboxamide

C19H13N5OS2 — CID 27378375

IUPACN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3ncsc3c2)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C19H13N5OS2/c1-11-8-17(22-18(25)12-6-7-13-16(9-12)26-10-20-13)24(23-11)19-21-14-4-2-3-5-15(14)27-19/h2-10H,1H3,(H,22,25)
InChIKeyLIADZWJPVYSZSF-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.65
Rot. Bonds3

About N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1,3-benzothiazole-6-carboxamide

N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 27378375) has the molecular formula C19H13N5OS2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID27378375
Molecular FormulaC19H13N5OS2
Molecular Weight391.48 g/mol
Exact Mass391.06
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3ncsc3c2)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C19H13N5OS2/c1-11-8-17(22-18(25)12-6-7-13-16(9-12)26-10-20-13)24(23-11)19-21-14-4-2-3-5-15(14)27-19/h2-10H,1H3,(H,22,25)
InChIKeyLIADZWJPVYSZSF-UHFFFAOYSA-N
XLogP4.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1,3-benzothiazole-6-carboxamide (CID 27378375) is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1,3-benzothiazole-6-carboxamide is Cc1cc(NC(=O)c2ccc3ncsc3c2)n(-c2nc3ccccc3s2)n1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is LIADZWJPVYSZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5OS2/c1-11-8-17(22-18(25)12-6-7-13-16(9-12)26-10-20-13)24(23-11)19-21-14-4-2-3-5-15(14)27-19/h2-10H,1H3,(H,22,25).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1,3-benzothiazole-6-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 27378375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).