N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide

C17H16N4O3S2 — CID 40505089

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
SMILESCCSc1nnc(NC(=O)c2cccn(OCc3ccccc3)c2=O)s1
InChIInChI=1S/C17H16N4O3S2/c1-2-25-17-20-19-16(26-17)18-14(22)13-9-6-10-21(15(13)23)24-11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,18,19,22)
InChIKeyWAXMOJQGOZBVHP-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.69
Rot. Bonds7

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide (PubChem CID 40505089) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
PubChem CID40505089
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
SMILESCCSc1nnc(NC(=O)c2cccn(OCc3ccccc3)c2=O)s1
InChIInChI=1S/C17H16N4O3S2/c1-2-25-17-20-19-16(26-17)18-14(22)13-9-6-10-21(15(13)23)24-11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,18,19,22)
InChIKeyWAXMOJQGOZBVHP-UHFFFAOYSA-N
XLogP2.69
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

1-N,2-N-bis(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzene-1,2-dicarboxamide
CID 3636543
2-oxo-1-phenylmethoxy-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 110382868
N-(2-carbamoylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382870
2-ethoxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 872228
N-(4-carbamoylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382871
1-[(4-methylphenyl)methoxy]-2-oxo-N-phenylpyridine-3-carboxamide
CID 110383127
N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110383139
N-(3-acetylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 40505024
N-[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-methylbenzoyl)benzamide
CID 20994654
2-oxo-1-phenylmethoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 110383144
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 2634102
2-[[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61285140

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide (CID 40505089) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide is CCSc1nnc(NC(=O)c2cccn(OCc3ccccc3)c2=O)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide?
The InChIKey is WAXMOJQGOZBVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-2-25-17-20-19-16(26-17)18-14(22)13-9-6-10-21(15(13)23)24-11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,18,19,22).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide is sourced from PubChem (CID 40505089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).