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

C14H16N2O2S2 — CID 2533042

IUPACN-[(4-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2nc(C)cs2)cc1
InChIInChI=1S/C14H16N2O2S2/c1-10-8-19-14(16-10)20-9-13(17)15-7-11-3-5-12(18-2)6-4-11/h3-6,8H,7,9H2,1-2H3,(H,15,17)
InChIKeyLHCHOSOOMQUOLT-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.87
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2533042) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2533042
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2nc(C)cs2)cc1
InChIInChI=1S/C14H16N2O2S2/c1-10-8-19-14(16-10)20-9-13(17)15-7-11-3-5-12(18-2)6-4-11/h3-6,8H,7,9H2,1-2H3,(H,15,17)
InChIKeyLHCHOSOOMQUOLT-UHFFFAOYSA-N
XLogP2.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.87
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-Ethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 645119
2-Acetylaminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 10044540
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide
CID 10050685
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide
CID 10364476
(S)-benzyl 1-(2-(4-methoxyphenyl)thiazol-4-yl)-5-(sulfamoylamino)pentylcarbamate
CID 44572561
(Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146427577
(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512035
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-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2533042) is N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is COc1ccc(CNC(=O)CSc2nc(C)cs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is LHCHOSOOMQUOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-10-8-19-14(16-10)20-9-13(17)15-7-11-3-5-12(18-2)6-4-11/h3-6,8H,7,9H2,1-2H3,(H,15,17).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 308.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2533042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).