N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide

C13H11ClN4OS — CID 2738514

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)nn1C
InChIInChI=1S/C13H11ClN4OS/c1-7-5-10(17-18(7)2)12(19)16-13-15-9-4-3-8(14)6-11(9)20-13/h3-6H,1-2H3,(H,15,16,19)
InChIKeyFMDDFHIITFILTP-UHFFFAOYSA-N
MW306.78 g/mol
LogP3.24
Rot. Bonds2

About N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 2738514) has the molecular formula C13H11ClN4OS and a molecular weight of 306.78 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID2738514
Molecular FormulaC13H11ClN4OS
Molecular Weight306.78 g/mol
Exact Mass306.03
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)nn1C
InChIInChI=1S/C13H11ClN4OS/c1-7-5-10(17-18(7)2)12(19)16-13-15-9-4-3-8(14)6-11(9)20-13/h3-6H,1-2H3,(H,15,16,19)
InChIKeyFMDDFHIITFILTP-UHFFFAOYSA-N
XLogP3.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide (CID 2738514) is N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)nn1C.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is FMDDFHIITFILTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OS/c1-7-5-10(17-18(7)2)12(19)16-13-15-9-4-3-8(14)6-11(9)20-13/h3-6H,1-2H3,(H,15,16,19).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 306.78 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 2738514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).