N-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide

C16H14N2O2S — CID 170775666

IUPACN-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2cccc3ccccc23)n1)NO
InChIInChI=1S/C16H14N2O2S/c19-15(18-20)9-8-12-10-21-16(17-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,20H,8-9H2,(H,18,19)
InChIKeyWISIPTTXRSYDHO-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.40
Rot. Bonds4

About N-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide

N-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 170775666) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide
PubChem CID170775666
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2cccc3ccccc23)n1)NO
InChIInChI=1S/C16H14N2O2S/c19-15(18-20)9-8-12-10-21-16(17-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,20H,8-9H2,(H,18,19)
InChIKeyWISIPTTXRSYDHO-UHFFFAOYSA-N
XLogP3.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide (CID 170775666) is N-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide is O=C(CCc1csc(-c2cccc3ccccc23)n1)NO.
What is the InChIKey of N-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is WISIPTTXRSYDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-15(18-20)9-8-12-10-21-16(17-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,20H,8-9H2,(H,18,19).
What are the key properties of N-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide?
N-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 298.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(2-naphthalen-1-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 170775666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).