N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide

C11H12N4OS — CID 79513455

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2nnc(N)s2)c1C
InChIInChI=1S/C11H12N4OS/c1-6-4-3-5-8(7(6)2)9(16)13-11-15-14-10(12)17-11/h3-5H,1-2H3,(H2,12,14)(H,13,15,16)
InChIKeySNOPGHKTQZJIAX-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.99
Rot. Bonds2

About N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide

N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide (PubChem CID 79513455) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
PubChem CID79513455
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2nnc(N)s2)c1C
InChIInChI=1S/C11H12N4OS/c1-6-4-3-5-8(7(6)2)9(16)13-11-15-14-10(12)17-11/h3-5H,1-2H3,(H2,12,14)(H,13,15,16)
InChIKeySNOPGHKTQZJIAX-UHFFFAOYSA-N
XLogP1.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 79516914
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 8503017
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-dimethylbenzamide
CID 79513275
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 79513071
2,3-dimethyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 8838612
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176851
N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176766
methyl 2-[(2,3-dimethylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 60594520
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide
CID 47143245
2,3-dimethylbenzohydrazide
CID 16790549
N-(3-aminophenyl)-2,3-dimethylbenzamide
CID 16789314
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide
CID 106856525

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide (CID 79513455) is N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide is Cc1cccc(C(=O)Nc2nnc(N)s2)c1C.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide?
The InChIKey is SNOPGHKTQZJIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-6-4-3-5-8(7(6)2)9(16)13-11-15-14-10(12)17-11/h3-5H,1-2H3,(H2,12,14)(H,13,15,16).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide has a molecular weight of 248.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide is sourced from PubChem (CID 79513455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).