6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

C16H20N4OS2 — CID 133337775

IUPAC6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)Cc3csc(C(C)OC)n3)ncnc2s1
InChIInChI=1S/C16H20N4OS2/c1-5-12-6-13-14(17-9-18-16(13)23-12)20(3)7-11-8-22-15(19-11)10(2)21-4/h6,8-10H,5,7H2,1-4H3
InChIKeyRFEJUIOLZFNLKA-UHFFFAOYSA-N
MW348.50 g/mol
LogP4.05
Rot. Bonds6

About 6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133337775) has the molecular formula C16H20N4OS2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133337775
Molecular FormulaC16H20N4OS2
Molecular Weight348.50 g/mol
Exact Mass348.11
IUPAC Name6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)Cc3csc(C(C)OC)n3)ncnc2s1
InChIInChI=1S/C16H20N4OS2/c1-5-12-6-13-14(17-9-18-16(13)23-12)20(3)7-11-8-22-15(19-11)10(2)21-4/h6,8-10H,5,7H2,1-4H3
InChIKeyRFEJUIOLZFNLKA-UHFFFAOYSA-N
XLogP4.05
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 133337775) is 6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N(C)Cc3csc(C(C)OC)n3)ncnc2s1.
What is the InChIKey of 6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RFEJUIOLZFNLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS2/c1-5-12-6-13-14(17-9-18-16(13)23-12)20(3)7-11-8-22-15(19-11)10(2)21-4/h6,8-10H,5,7H2,1-4H3.
What are the key properties of 6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 348.50 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133337775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).