N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide

C11H12N4OS2 — CID 2558670

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCCc1nnc(NC(=O)c2cccnc2SC)s1
InChIInChI=1S/C11H12N4OS2/c1-3-8-14-15-11(18-8)13-9(16)7-5-4-6-12-10(7)17-2/h4-6H,3H2,1-2H3,(H,13,15,16)
InChIKeyKPDNRBCPUQSYJN-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.47
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2558670) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2558670
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCCc1nnc(NC(=O)c2cccnc2SC)s1
InChIInChI=1S/C11H12N4OS2/c1-3-8-14-15-11(18-8)13-9(16)7-5-4-6-12-10(7)17-2/h4-6H,3H2,1-2H3,(H,13,15,16)
InChIKeyKPDNRBCPUQSYJN-UHFFFAOYSA-N
XLogP2.47
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 506605
N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 4173511
N-[5-(3-Pyridinyl)-1,3,4-thiadiazol-2-YL]-2-thiophenecarboxamide
CID 1080952
Acetamide, N-(5-(4-pyridyl)-1,3,4-thiadiazol-2-yl)-
CID 19289
N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 1447074
6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 2085604
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 746692
2-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]nicotinamide
CID 1221234
N-(5-ethyl-1,3,4-thiadiazol-2-yl)nicotinamide
CID 1387083
N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 659441
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamide
CID 1245352
N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 697160

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide (CID 2558670) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide is CCc1nnc(NC(=O)c2cccnc2SC)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is KPDNRBCPUQSYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c1-3-8-14-15-11(18-8)13-9(16)7-5-4-6-12-10(7)17-2/h4-6H,3H2,1-2H3,(H,13,15,16).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 280.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2558670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).