N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C12H14N4OS — CID 80615708

IUPACN-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2cccc(C)c2C)s1
InChIInChI=1S/C12H14N4OS/c1-7-5-4-6-9(8(7)2)14-10(17)11-15-16-12(13-3)18-11/h4-6H,1-3H3,(H,13,16)(H,14,17)
InChIKeyHBFNZQQUORGHBK-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.45
Rot. Bonds3

About N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615708) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615708
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2cccc(C)c2C)s1
InChIInChI=1S/C12H14N4OS/c1-7-5-4-6-9(8(7)2)14-10(17)11-15-16-12(13-3)18-11/h4-6H,1-3H3,(H,13,16)(H,14,17)
InChIKeyHBFNZQQUORGHBK-UHFFFAOYSA-N
XLogP2.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615264
5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618602
5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619012
N-(2,6-dimethyl-3-pyridinyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624708
N-(3-iodophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615800
5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615974
N-(3,4-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618897
N-(4-bromo-2,3-dichlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107793429
5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617107
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
N-(2,3-dimethylphenyl)-5-methylthiophene-2-carboxamide
CID 7733041
N-(2,3-dimethylphenyl)-1,2-thiazole-5-carboxamide
CID 110692180

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615708) is N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)Nc2cccc(C)c2C)s1.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HBFNZQQUORGHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-5-4-6-9(8(7)2)14-10(17)11-15-16-12(13-3)18-11/h4-6H,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).