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

C9H9N5OS — CID 80616238

IUPAC5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccnc(NC(=O)c2nnc(N)s2)c1
InChIInChI=1S/C9H9N5OS/c1-5-2-3-11-6(4-5)12-7(15)8-13-14-9(10)16-8/h2-4H,1H3,(H2,10,14)(H,11,12,15)
InChIKeyDRRGCOMBUBIKQG-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.08
Rot. Bonds2

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

5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616238) has the molecular formula C9H9N5OS and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616238
Molecular FormulaC9H9N5OS
Molecular Weight235.27 g/mol
Exact Mass235.05
IUPAC Name5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccnc(NC(=O)c2nnc(N)s2)c1
InChIInChI=1S/C9H9N5OS/c1-5-2-3-11-6(4-5)12-7(15)8-13-14-9(10)16-8/h2-4H,1H3,(H2,10,14)(H,11,12,15)
InChIKeyDRRGCOMBUBIKQG-UHFFFAOYSA-N
XLogP1.08
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide chloride
CID 53352579
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CID 113349571
N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 35029727
3-hydroxy-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 54861359
4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 107073933
2-N-(4-methyl-2-pyridinyl)pyridine-2,5-dicarboxamide
CID 47084943
4-amino-6-methyl-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81236114
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927
2-N,6-N-bis(4-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4130002
4-methyl-N-(4-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 47265636
4-amino-N-(4-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 63107417
3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide
CID 61207819

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide (CID 80616238) is 5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide is Cc1ccnc(NC(=O)c2nnc(N)s2)c1.
What is the InChIKey of 5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DRRGCOMBUBIKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS/c1-5-2-3-11-6(4-5)12-7(15)8-13-14-9(10)16-8/h2-4H,1H3,(H2,10,14)(H,11,12,15).
What are the key properties of 5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).