4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one

C16H16N2O2S — CID 106380825

IUPAC4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)c2ccc3ccccc3c2)cs1
InChIInChI=1S/C16H16N2O2S/c19-15(9-17-8-14-10-21-16(20)18-14)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,10,15,17,19H,8-9H2,(H,18,20)
InChIKeySCLLBGKMHWOINF-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.41
Rot. Bonds5

About 4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380825) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380825
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)c2ccc3ccccc3c2)cs1
InChIInChI=1S/C16H16N2O2S/c19-15(9-17-8-14-10-21-16(20)18-14)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,10,15,17,19H,8-9H2,(H,18,20)
InChIKeySCLLBGKMHWOINF-UHFFFAOYSA-N
XLogP2.41
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380821
4-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380830
1-Naphthalen-2-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
CID 106429229
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109887365
2-(2-Aminoethylamino)-1-naphthalen-2-ylethanol
CID 55040927
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 56785810
2-[2-(Diethylamino)ethylamino]-1-naphthalen-2-ylethanol
CID 60896233
2-[(1,1-Dioxothiolan-3-yl)amino]-1-naphthalen-2-ylethanol
CID 60898004
2-[(2-Hydroxy-2-naphthalen-2-ylethyl)amino]acetamide
CID 60899600
2-[2-(Dimethylamino)ethylamino]-1-naphthalen-2-ylethanol
CID 60900941
2-(Cyclopentylamino)-1-naphthalen-2-ylethanol
CID 60904305
N-cyclopropyl-2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]acetamide
CID 60908585

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380825) is 4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC(O)c2ccc3ccccc3c2)cs1.
What is the InChIKey of 4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is SCLLBGKMHWOINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-15(9-17-8-14-10-21-16(20)18-14)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,10,15,17,19H,8-9H2,(H,18,20).
What are the key properties of 4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 300.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).