N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C15H18N2O2S2 — CID 2532900

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(CCNC(=O)CSc2nc(C)cs2)cc1
InChIInChI=1S/C15H18N2O2S2/c1-11-9-20-15(17-11)21-10-14(18)16-8-7-12-3-5-13(19-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,16,18)
InChIKeyRLEMBYOLMDUXJZ-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2532900) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2532900
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(CCNC(=O)CSc2nc(C)cs2)cc1
InChIInChI=1S/C15H18N2O2S2/c1-11-9-20-15(17-11)21-10-14(18)16-8-7-12-3-5-13(19-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,16,18)
InChIKeyRLEMBYOLMDUXJZ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2098654
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 3878872
N-hydroxy-3-[2-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]propanamide
CID 148951442
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](piperidino)methanone
CID 1472641
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654
N-[[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
CID 46943638
N-[(3-fluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 49778585
N-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
CID 49790361
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-3-(4-methoxyphenyl)propanamide
CID 7518483
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790291

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2532900) is N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is COc1ccc(CCNC(=O)CSc2nc(C)cs2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is RLEMBYOLMDUXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-11-9-20-15(17-11)21-10-14(18)16-8-7-12-3-5-13(19-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 322.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2532900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).