N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide

C13H12N4O3S2 — CID 43980532

IUPACN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCOc1cc2nc(NC(=O)c3snnc3C)sc2cc1OC
InChIInChI=1S/C13H12N4O3S2/c1-6-11(22-17-16-6)12(18)15-13-14-7-4-8(19-2)9(20-3)5-10(7)21-13/h4-5H,1-3H3,(H,14,15,18)
InChIKeyDWMZUTMPUGOFJH-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.73
Rot. Bonds4

About N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 43980532) has the molecular formula C13H12N4O3S2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID43980532
Molecular FormulaC13H12N4O3S2
Molecular Weight336.40 g/mol
Exact Mass336.04
IUPAC NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCOc1cc2nc(NC(=O)c3snnc3C)sc2cc1OC
InChIInChI=1S/C13H12N4O3S2/c1-6-11(22-17-16-6)12(18)15-13-14-7-4-8(19-2)9(20-3)5-10(7)21-13/h4-5H,1-3H3,(H,14,15,18)
InChIKeyDWMZUTMPUGOFJH-UHFFFAOYSA-N
XLogP2.73
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 24600021
5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7244543
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
CID 43980545
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-oxidopyridin-1-ium-3-carboxamide
CID 24600028
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
CID 7543004
2-(3,4-dimethoxyphenyl)-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 26691272
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
CID 43989134
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7295315
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100996
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 7543008
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43980540
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 24600014

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide (CID 43980532) is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide is COc1cc2nc(NC(=O)c3snnc3C)sc2cc1OC.
What is the InChIKey of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is DWMZUTMPUGOFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S2/c1-6-11(22-17-16-6)12(18)15-13-14-7-4-8(19-2)9(20-3)5-10(7)21-13/h4-5H,1-3H3,(H,14,15,18).
What are the key properties of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide?
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 43980532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).