3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide

C16H12N4OS — CID 70652343

IUPAC3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide
SMILESCc1nc2ccc(-c3n[nH]c4ccc(C(N)=O)cc34)cc2s1
InChIInChI=1S/C16H12N4OS/c1-8-18-13-5-2-9(7-14(13)22-8)15-11-6-10(16(17)21)3-4-12(11)19-20-15/h2-7H,1H3,(H2,17,21)(H,19,20)
InChIKeyCUUCHNNIIXYHFI-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.25
Rot. Bonds2

About 3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide

3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide (PubChem CID 70652343) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide
PubChem CID70652343
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide
SMILESCc1nc2ccc(-c3n[nH]c4ccc(C(N)=O)cc34)cc2s1
InChIInChI=1S/C16H12N4OS/c1-8-18-13-5-2-9(7-14(13)22-8)15-11-6-10(16(17)21)3-4-12(11)19-20-15/h2-7H,1H3,(H2,17,21)(H,19,20)
InChIKeyCUUCHNNIIXYHFI-UHFFFAOYSA-N
XLogP3.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide (CID 70652343) is 3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide is Cc1nc2ccc(-c3n[nH]c4ccc(C(N)=O)cc34)cc2s1.
What is the InChIKey of 3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide?
The InChIKey is CUUCHNNIIXYHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-8-18-13-5-2-9(7-14(13)22-8)15-11-6-10(16(17)21)3-4-12(11)19-20-15/h2-7H,1H3,(H2,17,21)(H,19,20).
What are the key properties of 3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide?
3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide has a molecular weight of 308.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 70652343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).