2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide

C15H18N2O3S2 — CID 97320926

IUPAC2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCCOc1ccc([S@@](=O)Cc2csc(CC(=O)NC)n2)cc1
InChIInChI=1S/C15H18N2O3S2/c1-3-20-12-4-6-13(7-5-12)22(19)10-11-9-21-15(17-11)8-14(18)16-2/h4-7,9H,3,8,10H2,1-2H3,(H,16,18)/t22-/m0/s1
InChIKeyPGDUREYRHUKAQM-QFIPXVFZSA-N
MW338.45 g/mol
LogP2.14
Rot. Bonds7

About 2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide

2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 97320926) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID97320926
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCCOc1ccc([S@@](=O)Cc2csc(CC(=O)NC)n2)cc1
InChIInChI=1S/C15H18N2O3S2/c1-3-20-12-4-6-13(7-5-12)22(19)10-11-9-21-15(17-11)8-14(18)16-2/h4-7,9H,3,8,10H2,1-2H3,(H,16,18)/t22-/m0/s1
InChIKeyPGDUREYRHUKAQM-QFIPXVFZSA-N
XLogP2.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethyl-1,3-thiazol-2-yl)-N-methylacetamide
CID 131039339
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
4-[(4-ethoxyphenyl)sulfinylmethyl]-2-(oxolan-2-yl)-1,3-thiazole
CID 84590412
(4-ethoxyphenyl)methyl-methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azanium
CID 8798994
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide
CID 38710487
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-methylacetamide
CID 40509194
2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148390
2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 110746438
2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 18568208

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide (CID 97320926) is 2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide is CCOc1ccc([S@@](=O)Cc2csc(CC(=O)NC)n2)cc1.
What is the InChIKey of 2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is PGDUREYRHUKAQM-QFIPXVFZSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-3-20-12-4-6-13(7-5-12)22(19)10-11-9-21-15(17-11)8-14(18)16-2/h4-7,9H,3,8,10H2,1-2H3,(H,16,18)/t22-/m0/s1.
What are the key properties of 2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 338.45 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(S)-(4-ethoxyphenyl)sulfinyl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 97320926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).