3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide

C12H8N4O2S — CID 114912843

IUPAC3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1nnns1)c1cc2ccccc2cc1O
InChIInChI=1S/C12H8N4O2S/c17-10-6-8-4-2-1-3-7(8)5-9(10)11(18)13-12-14-15-16-19-12/h1-6,17H,(H,13,14,16,18)
InChIKeyIFTKSJZWTXXTID-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.04
Rot. Bonds2

About 3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide

3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide (PubChem CID 114912843) has the molecular formula C12H8N4O2S and a molecular weight of 272.29 g/mol. Its IUPAC name is 3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide
PubChem CID114912843
Molecular FormulaC12H8N4O2S
Molecular Weight272.29 g/mol
Exact Mass272.04
IUPAC Name3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1nnns1)c1cc2ccccc2cc1O
InChIInChI=1S/C12H8N4O2S/c17-10-6-8-4-2-1-3-7(8)5-9(10)11(18)13-12-14-15-16-19-12/h1-6,17H,(H,13,14,16,18)
InChIKeyIFTKSJZWTXXTID-UHFFFAOYSA-N
XLogP2.04
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide
CID 25480929
sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
2,4-dibromo-N-(thiatriazol-5-yl)benzamide
CID 107953571
5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912771
N-[2,5-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 19850925
5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide
CID 114911640
2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114912800
3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402819
2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide
CID 106854440
4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114912098
2-butoxy-N-(thiatriazol-5-yl)benzamide
CID 19114331
4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide
CID 164656698

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide (CID 114912843) is 3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide is O=C(Nc1nnns1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide?
The InChIKey is IFTKSJZWTXXTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2S/c17-10-6-8-4-2-1-3-7(8)5-9(10)11(18)13-12-14-15-16-19-12/h1-6,17H,(H,13,14,16,18).
What are the key properties of 3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide?
3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide has a molecular weight of 272.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 114912843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).