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

C10H11N5OS — CID 107586704

IUPAC5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2cncc(C)c2)s1
InChIInChI=1S/C10H11N5OS/c1-6-3-7(5-12-4-6)13-8(16)9-14-15-10(11-2)17-9/h3-5H,1-2H3,(H,11,15)(H,13,16)
InChIKeyMORPIBLNDAAOHI-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.54
Rot. Bonds3

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

5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 107586704) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID107586704
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2cncc(C)c2)s1
InChIInChI=1S/C10H11N5OS/c1-6-3-7(5-12-4-6)13-8(16)9-14-15-10(11-2)17-9/h3-5H,1-2H3,(H,11,15)(H,13,16)
InChIKeyMORPIBLNDAAOHI-UHFFFAOYSA-N
XLogP1.54
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromo-5-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107578585
N-(3,4-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618897
N-(3,4-dichlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618888
5-(methylamino)-N-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618119
N-(3-iodophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615800
N-(5-bromo-4-methyl-2-pyridinyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624614
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 103738893
4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617289
5-(methylamino)-N-(5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107586715
5-iodo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 103738916

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide (CID 107586704) is 5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)Nc2cncc(C)c2)s1.
What is the InChIKey of 5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is MORPIBLNDAAOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-6-3-7(5-12-4-6)13-8(16)9-14-15-10(11-2)17-9/h3-5H,1-2H3,(H,11,15)(H,13,16).
What are the key properties of 5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 107586704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).