N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide

C15H18N2O2S2 — CID 47077563

IUPACN-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide
SMILESCCc1nc(COc2ccc(NC(=O)CSC)cc2)cs1
InChIInChI=1S/C15H18N2O2S2/c1-3-15-17-12(9-21-15)8-19-13-6-4-11(5-7-13)16-14(18)10-20-2/h4-7,9H,3,8,10H2,1-2H3,(H,16,18)
InChIKeyLIHRYGVWRMPCLC-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.59
Rot. Bonds7

About N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide

N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide (PubChem CID 47077563) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide
PubChem CID47077563
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC NameN-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide
SMILESCCc1nc(COc2ccc(NC(=O)CSC)cc2)cs1
InChIInChI=1S/C15H18N2O2S2/c1-3-15-17-12(9-21-15)8-19-13-6-4-11(5-7-13)16-14(18)10-20-2/h4-7,9H,3,8,10H2,1-2H3,(H,16,18)
InChIKeyLIHRYGVWRMPCLC-UHFFFAOYSA-N
XLogP3.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate
CID 47077529
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-N-methylaniline
CID 55136719
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 64766048
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 54955994
N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]prop-2-enamide
CID 69206895
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide
CID 18231102
N-(4-tert-butylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 50753766
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
N-[4-(dimethylamino)phenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 112500932

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide (CID 47077563) is N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide is CCc1nc(COc2ccc(NC(=O)CSC)cc2)cs1.
What is the InChIKey of N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide?
The InChIKey is LIHRYGVWRMPCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-3-15-17-12(9-21-15)8-19-13-6-4-11(5-7-13)16-14(18)10-20-2/h4-7,9H,3,8,10H2,1-2H3,(H,16,18).
What are the key properties of N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide?
N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide has a molecular weight of 322.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 47077563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).