6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine

C19H19N5OS2 — CID 31540034

IUPAC6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Sc3nnc(-c4cccc(OC)c4)n3CC)ncnc2s1
InChIInChI=1S/C19H19N5OS2/c1-4-14-10-15-17(26-14)20-11-21-18(15)27-19-23-22-16(24(19)5-2)12-7-6-8-13(9-12)25-3/h6-11H,4-5H2,1-3H3
InChIKeyBINQWYNIZFBQEZ-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.69
Rot. Bonds6

About 6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine

6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine (PubChem CID 31540034) has the molecular formula C19H19N5OS2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
PubChem CID31540034
Molecular FormulaC19H19N5OS2
Molecular Weight397.53 g/mol
Exact Mass397.10
IUPAC Name6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Sc3nnc(-c4cccc(OC)c4)n3CC)ncnc2s1
InChIInChI=1S/C19H19N5OS2/c1-4-14-10-15-17(26-14)20-11-21-18(15)27-19-23-22-16(24(19)5-2)12-7-6-8-13(9-12)25-3/h6-11H,4-5H2,1-3H3
InChIKeyBINQWYNIZFBQEZ-UHFFFAOYSA-N
XLogP4.69
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133427285
methyl 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 6467002
ethyl 5-ethyl-2-[[2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 17301699
6-bromo-4-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]quinazoline
CID 86946063
4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylquinazoline
CID 133426978
3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazole
CID 17381684
N-benzyl-2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500683
7-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 133427194
1-(2-chlorophenyl)-2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2513196
2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 2042438
N-cyclohexyl-2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500688
3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine
CID 133374328

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine (CID 31540034) is 6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine is CCc1cc2c(Sc3nnc(-c4cccc(OC)c4)n3CC)ncnc2s1.
What is the InChIKey of 6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine?
The InChIKey is BINQWYNIZFBQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS2/c1-4-14-10-15-17(26-14)20-11-21-18(15)27-19-23-22-16(24(19)5-2)12-7-6-8-13(9-12)25-3/h6-11H,4-5H2,1-3H3.
What are the key properties of 6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine?
6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine has a molecular weight of 397.53 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 31540034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).