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

C10H7N5OS2 — CID 20897506

IUPACN-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc2nsnc2c1
InChIInChI=1S/C10H7N5OS2/c1-5-9(17-15-12-5)10(16)11-6-2-3-7-8(4-6)14-18-13-7/h2-4H,1H3,(H,11,16)
InChIKeyVCKIQDGDGUZAOH-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.10
Rot. Bonds2

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

N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 20897506) has the molecular formula C10H7N5OS2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID20897506
Molecular FormulaC10H7N5OS2
Molecular Weight277.33 g/mol
Exact Mass277.01
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc2nsnc2c1
InChIInChI=1S/C10H7N5OS2/c1-5-9(17-15-12-5)10(16)11-6-2-3-7-8(4-6)14-18-13-7/h2-4H,1H3,(H,11,16)
InChIKeyVCKIQDGDGUZAOH-UHFFFAOYSA-N
XLogP2.10
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
CID 82862458
N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide
CID 9087191
4-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiadiazole-5-carboxamide
CID 43952417
2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54926713
N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide
CID 174391939
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 7576779
4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 17013766
2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
CID 65346450
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 63333768
N-(2,1,3-benzothiadiazol-5-yl)-4-bromobenzamide
CID 26823481

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide (CID 20897506) is N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc2nsnc2c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is VCKIQDGDGUZAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5OS2/c1-5-9(17-15-12-5)10(16)11-6-2-3-7-8(4-6)14-18-13-7/h2-4H,1H3,(H,11,16).
What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide?
N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 20897506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).