3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide

C15H12N2O2S — CID 104579431

IUPAC3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide
SMILESO=C(NCc1cncs1)c1cc2ccccc2cc1O
InChIInChI=1S/C15H12N2O2S/c18-14-6-11-4-2-1-3-10(11)5-13(14)15(19)17-8-12-7-16-9-20-12/h1-7,9,18H,8H2,(H,17,19)
InChIKeyMTSKFRNCIVSGSI-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.93
Rot. Bonds3

About 3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide

3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide (PubChem CID 104579431) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide
PubChem CID104579431
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide
SMILESO=C(NCc1cncs1)c1cc2ccccc2cc1O
InChIInChI=1S/C15H12N2O2S/c18-14-6-11-4-2-1-3-10(11)5-13(14)15(19)17-8-12-7-16-9-20-12/h1-7,9,18H,8H2,(H,17,19)
InChIKeyMTSKFRNCIVSGSI-UHFFFAOYSA-N
XLogP2.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104583444
2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579091
1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide
CID 106772963
3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579077
3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide
CID 57112556
4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579063
5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide
CID 104579050
6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide
CID 104579396
N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 61166883
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 41276041
N-(1,3-thiazol-5-ylmethyl)-1H-indole-4-carboxamide
CID 104583473

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide (CID 104579431) is 3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide is O=C(NCc1cncs1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide?
The InChIKey is MTSKFRNCIVSGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-14-6-11-4-2-1-3-10(11)5-13(14)15(19)17-8-12-7-16-9-20-12/h1-7,9,18H,8H2,(H,17,19).
What are the key properties of 3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide?
3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 104579431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).