N-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide

C11H8N4OS2 — CID 7576763

IUPACN-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C11H8N4OS2/c1-6-9(18-15-14-6)10(16)13-11-12-7-4-2-3-5-8(7)17-11/h2-5H,1H3,(H,12,13,16)
InChIKeyGBZOIPQZLDRSMR-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.71
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide

N-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 7576763) has the molecular formula C11H8N4OS2 and a molecular weight of 276.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID7576763
Molecular FormulaC11H8N4OS2
Molecular Weight276.35 g/mol
Exact Mass276.01
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C11H8N4OS2/c1-6-9(18-15-14-6)10(16)13-11-12-7-4-2-3-5-8(7)17-11/h2-5H,1H3,(H,12,13,16)
InChIKeyGBZOIPQZLDRSMR-UHFFFAOYSA-N
XLogP2.71
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide (CID 7576763) is N-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is GBZOIPQZLDRSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS2/c1-6-9(18-15-14-6)10(16)13-11-12-7-4-2-3-5-8(7)17-11/h2-5H,1H3,(H,12,13,16).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide?
N-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 276.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 7576763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).