1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone

C18H18N2O2S2 — CID 1076014

IUPAC1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1
InChIInChI=1S/C18H18N2O2S2/c1-10-11(2)24-18-16(10)17(19-12(3)20-18)23-9-15(21)13-5-7-14(22-4)8-6-13/h5-8H,9H2,1-4H3
InChIKeyLNPBCWUWXNDIOY-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.60
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone

1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone (PubChem CID 1076014) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
PubChem CID1076014
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1
InChIInChI=1S/C18H18N2O2S2/c1-10-11(2)24-18-16(10)17(19-12(3)20-18)23-9-15(21)13-5-7-14(22-4)8-6-13/h5-8H,9H2,1-4H3
InChIKeyLNPBCWUWXNDIOY-UHFFFAOYSA-N
XLogP4.60
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Silica aerogel
CID 1151680
1-(4-Methoxyphenyl)-2-[(2-propylquinazolin-4-YL)sulfanyl]ethanone
CID 1442664
Ethyl {[8-acetyl-9-(4-methoxyphenyl)-2,7-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl]sulfanyl}acetate
CID 990678
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio}ethanone
CID 1300201
1-(4-Thieno[2,3-d]pyrimidin-4-yloxyphenyl)ethanone
CID 2478817
4-[2-(4-Methoxyphenyl)ethylamino]-5-methyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 137640170
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]ethanone
CID 1186185
2-[(2-Tert-butylquinazolin-4-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 1442469
ethyl 4-(4-methoxyphenyl)-2-({[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate
CID 1742352
Methyl 5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylate
CID 2571463
N-[(4-methoxyphenyl)methyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4858482
Ethyl 4-[(2-methoxybenzyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 6615359

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone (CID 1076014) is 1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone is COc1ccc(C(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone?
The InChIKey is LNPBCWUWXNDIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-10-11(2)24-18-16(10)17(19-12(3)20-18)23-9-15(21)13-5-7-14(22-4)8-6-13/h5-8H,9H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone?
1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone has a molecular weight of 358.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone is sourced from PubChem (CID 1076014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).