N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

C11H12N4O3S2 — CID 27376471

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCCSc1nnc(NC(=O)c2cc(=O)c(OC)c[nH]2)s1
InChIInChI=1S/C11H12N4O3S2/c1-3-19-11-15-14-10(20-11)13-9(17)6-4-7(16)8(18-2)5-12-6/h4-5H,3H2,1-2H3,(H,12,16)(H,13,14,17)
InChIKeyODUWHDVRJYCRIS-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.60
Rot. Bonds5

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 27376471) has the molecular formula C11H12N4O3S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
PubChem CID27376471
Molecular FormulaC11H12N4O3S2
Molecular Weight312.38 g/mol
Exact Mass312.04
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCCSc1nnc(NC(=O)c2cc(=O)c(OC)c[nH]2)s1
InChIInChI=1S/C11H12N4O3S2/c1-3-19-11-15-14-10(20-11)13-9(17)6-4-7(16)8(18-2)5-12-6/h4-5H,3H2,1-2H3,(H,12,16)(H,13,14,17)
InChIKeyODUWHDVRJYCRIS-UHFFFAOYSA-N
XLogP1.60
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

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N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 872286
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide
CID 2885797
1-N,2-N-bis(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzene-1,2-dicarboxamide
CID 3636543
4,5-dibromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 19219392
2-ethoxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 872228
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 127254446
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2641026
3-chloro-4-ethoxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100692685
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 43045801
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (CID 27376471) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is CCSc1nnc(NC(=O)c2cc(=O)c(OC)c[nH]2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is ODUWHDVRJYCRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S2/c1-3-19-11-15-14-10(20-11)13-9(17)6-4-7(16)8(18-2)5-12-6/h4-5H,3H2,1-2H3,(H,12,16)(H,13,14,17).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 27376471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).