N-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide

C18H24N8OS — CID 131926299

IUPACN-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESCCc1c(C)sc2ncnc(N3CCCC(CNC(=O)Cn4cnnn4)C3)c12
InChIInChI=1S/C18H24N8OS/c1-3-14-12(2)28-18-16(14)17(20-10-21-18)25-6-4-5-13(8-25)7-19-15(27)9-26-11-22-23-24-26/h10-11,13H,3-9H2,1-2H3,(H,19,27)
InChIKeyHKLANBRORBRHGP-UHFFFAOYSA-N
MW400.51 g/mol
LogP1.58
Rot. Bonds6

About N-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide

N-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 131926299) has the molecular formula C18H24N8OS and a molecular weight of 400.51 g/mol. Its IUPAC name is N-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID131926299
Molecular FormulaC18H24N8OS
Molecular Weight400.51 g/mol
Exact Mass400.18
IUPAC NameN-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESCCc1c(C)sc2ncnc(N3CCCC(CNC(=O)Cn4cnnn4)C3)c12
InChIInChI=1S/C18H24N8OS/c1-3-14-12(2)28-18-16(14)17(20-10-21-18)25-6-4-5-13(8-25)7-19-15(27)9-26-11-22-23-24-26/h10-11,13H,3-9H2,1-2H3,(H,19,27)
InChIKeyHKLANBRORBRHGP-UHFFFAOYSA-N
XLogP1.58
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide (CID 131926299) is N-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide is CCc1c(C)sc2ncnc(N3CCCC(CNC(=O)Cn4cnnn4)C3)c12.
What is the InChIKey of N-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is HKLANBRORBRHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8OS/c1-3-14-12(2)28-18-16(14)17(20-10-21-18)25-6-4-5-13(8-25)7-19-15(27)9-26-11-22-23-24-26/h10-11,13H,3-9H2,1-2H3,(H,19,27).
What are the key properties of N-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide?
N-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 400.51 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 131926299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).