ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate

C20H23N3O3S2 — CID 56500611

IUPACethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2sc3nc(C)nc(C)c3c2C)sc(C)c1CC
InChIInChI=1S/C20H23N3O3S2/c1-7-13-11(5)27-19(15(13)20(25)26-8-2)23-17(24)16-9(3)14-10(4)21-12(6)22-18(14)28-16/h7-8H2,1-6H3,(H,23,24)
InChIKeyKBZGPAWAVCGELN-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.98
Rot. Bonds5

About ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate

ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 56500611) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate
PubChem CID56500611
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC Nameethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2sc3nc(C)nc(C)c3c2C)sc(C)c1CC
InChIInChI=1S/C20H23N3O3S2/c1-7-13-11(5)27-19(15(13)20(25)26-8-2)23-17(24)16-9(3)14-10(4)21-12(6)22-18(14)28-16/h7-8H2,1-6H3,(H,23,24)
InChIKeyKBZGPAWAVCGELN-UHFFFAOYSA-N
XLogP4.98
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate with MolForge

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Related Compounds

2,4,5-trimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671777
methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate
CID 56501285
ethyl 2-(2-chloropropanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CID 43132157
ethyl 2-(3-aminopropanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119264652
ethyl 2-[(2-bromoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 60651187
ethyl 2-[(6-chloropyridine-3-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 52895368
ethyl 4-ethyl-5-methyl-2-[[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 5131370
ethyl 2-[(2,6-dichlorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 3442189
ethyl 2-(3-aminobutanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119677230
N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46571134
2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 43056727
2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24675463

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate (CID 56500611) is ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2sc3nc(C)nc(C)c3c2C)sc(C)c1CC.
What is the InChIKey of ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is KBZGPAWAVCGELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-7-13-11(5)27-19(15(13)20(25)26-8-2)23-17(24)16-9(3)14-10(4)21-12(6)22-18(14)28-16/h7-8H2,1-6H3,(H,23,24).
What are the key properties of ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate?
ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 417.56 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-5-methyl-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 56500611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).