N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide

C16H12N4OS2 — CID 26850847

IUPACN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3n[nH]c4ccccc34)cc2s1
InChIInChI=1S/C16H12N4OS2/c1-22-16-18-12-7-6-9(8-13(12)23-16)17-15(21)14-10-4-2-3-5-11(10)19-20-14/h2-8H,1H3,(H,17,21)(H,19,20)
InChIKeyKVFPHBXYORAUGE-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.15
Rot. Bonds3

About N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide (PubChem CID 26850847) has the molecular formula C16H12N4OS2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide
PubChem CID26850847
Molecular FormulaC16H12N4OS2
Molecular Weight340.43 g/mol
Exact Mass340.05
IUPAC NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3n[nH]c4ccccc34)cc2s1
InChIInChI=1S/C16H12N4OS2/c1-22-16-18-12-7-6-9(8-13(12)23-16)17-15(21)14-10-4-2-3-5-11(10)19-20-14/h2-8H,1H3,(H,17,21)(H,19,20)
InChIKeyKVFPHBXYORAUGE-UHFFFAOYSA-N
XLogP4.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 1040773
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2161628
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 959132
3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 43952428
5-iodo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 79692948
N-quinolin-7-yl-1H-indazole-3-carboxamide
CID 28734040
N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
CID 60606536
3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide
CID 34035103
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
CID 47411212
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-9H-xanthene-9-carboxamide
CID 43952401

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide (CID 26850847) is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide is CSc1nc2ccc(NC(=O)c3n[nH]c4ccccc34)cc2s1.
What is the InChIKey of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide?
The InChIKey is KVFPHBXYORAUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS2/c1-22-16-18-12-7-6-9(8-13(12)23-16)17-15(21)14-10-4-2-3-5-11(10)19-20-14/h2-8H,1H3,(H,17,21)(H,19,20).
What are the key properties of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide?
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 26850847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).