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

C15H13N3O2S — CID 25480929

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc3ccccc3cc2O)s1
InChIInChI=1S/C15H13N3O2S/c1-2-13-17-18-15(21-13)16-14(20)11-7-9-5-3-4-6-10(9)8-12(11)19/h3-8,19H,2H2,1H3,(H,16,18,20)
InChIKeyIKADDLBQBSHUQW-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.21
Rot. Bonds3

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide (PubChem CID 25480929) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide
PubChem CID25480929
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc3ccccc3cc2O)s1
InChIInChI=1S/C15H13N3O2S/c1-2-13-17-18-15(21-13)16-14(20)11-7-9-5-3-4-6-10(9)8-12(11)19/h3-8,19H,2H2,1H3,(H,16,18,20)
InChIKeyIKADDLBQBSHUQW-UHFFFAOYSA-N
XLogP3.21
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide
CID 114912843
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide
CID 54787299
2-(cyanomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179672
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide
CID 17311565
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid
CID 19029540
2-amino-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110451183
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea
CID 50744730
2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546737
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methylbutanoylamino)benzamide
CID 17311855
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylbenzoyl)amino]benzamide
CID 17311355

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide (CID 25480929) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide is CCc1nnc(NC(=O)c2cc3ccccc3cc2O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is IKADDLBQBSHUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-2-13-17-18-15(21-13)16-14(20)11-7-9-5-3-4-6-10(9)8-12(11)19/h3-8,19H,2H2,1H3,(H,16,18,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 25480929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).