2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide

C16H14N2O2S — CID 82155136

IUPAC2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(Cc1nc(CO)cs1)Nc1cccc2ccccc12
InChIInChI=1S/C16H14N2O2S/c19-9-12-10-21-16(17-12)8-15(20)18-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,19H,8-9H2,(H,18,20)
InChIKeyCUKRQXRXOBNOBS-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.97
Rot. Bonds4

About 2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide

2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide (PubChem CID 82155136) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide
PubChem CID82155136
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(Cc1nc(CO)cs1)Nc1cccc2ccccc12
InChIInChI=1S/C16H14N2O2S/c19-9-12-10-21-16(17-12)8-15(20)18-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,19H,8-9H2,(H,18,20)
InChIKeyCUKRQXRXOBNOBS-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-2-pyridin-2-ylacetamide
CID 110468215
N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204706
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide
CID 82155172
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide
CID 30941352
N-naphthalen-1-yl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597375
2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide
CID 176907917
N-naphthalen-1-yl-2-naphthalen-2-ylacetamide
CID 16849654
2-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzoate
CID 2405590
N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899613
N-methyl-2-[4-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 97333419
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide (CID 82155136) is 2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide is O=C(Cc1nc(CO)cs1)Nc1cccc2ccccc12.
What is the InChIKey of 2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is CUKRQXRXOBNOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-9-12-10-21-16(17-12)8-15(20)18-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,19H,8-9H2,(H,18,20).
What are the key properties of 2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide?
2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 298.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 82155136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).