5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide

C13H16N4OS — CID 80617107

IUPAC5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC(C)c2ccccc2C)s1
InChIInChI=1S/C13H16N4OS/c1-8-6-4-5-7-10(8)9(2)15-11(18)12-16-17-13(14-3)19-12/h4-7,9H,1-3H3,(H,14,17)(H,15,18)
InChIKeyDTTSBOMNXJHKBP-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.38
Rot. Bonds4

About 5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide

5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617107) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617107
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC(C)c2ccccc2C)s1
InChIInChI=1S/C13H16N4OS/c1-8-6-4-5-7-10(8)9(2)15-11(18)12-16-17-13(14-3)19-12/h4-7,9H,1-3H3,(H,14,17)(H,15,18)
InChIKeyDTTSBOMNXJHKBP-UHFFFAOYSA-N
XLogP2.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619012
5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617189
2,4-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 78776283
5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 79998731
N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615708
4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide
CID 34815435
4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 51175514
5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47097917
5-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107375144
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47219502
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107856285

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 80617107) is 5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NC(C)c2ccccc2C)s1.
What is the InChIKey of 5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DTTSBOMNXJHKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-6-4-5-7-10(8)9(2)15-11(18)12-16-17-13(14-3)19-12/h4-7,9H,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).