2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine

C16H18N8OS — CID 133405345

IUPAC2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NC(c2nc(-c3ncn[nH]3)no2)C(C)C)c2ccsc2n1
InChIInChI=1S/C16H18N8OS/c1-4-10-19-12(9-5-6-26-16(9)20-10)21-11(8(2)3)15-22-14(24-25-15)13-17-7-18-23-13/h5-8,11H,4H2,1-3H3,(H,17,18,23)(H,19,20,21)
InChIKeyLKIPVEALWFMGGH-UHFFFAOYSA-N
MW370.44 g/mol
LogP3.23
Rot. Bonds6

About 2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133405345) has the molecular formula C16H18N8OS and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133405345
Molecular FormulaC16H18N8OS
Molecular Weight370.44 g/mol
Exact Mass370.13
IUPAC Name2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NC(c2nc(-c3ncn[nH]3)no2)C(C)C)c2ccsc2n1
InChIInChI=1S/C16H18N8OS/c1-4-10-19-12(9-5-6-26-16(9)20-10)21-11(8(2)3)15-22-14(24-25-15)13-17-7-18-23-13/h5-8,11H,4H2,1-3H3,(H,17,18,23)(H,19,20,21)
InChIKeyLKIPVEALWFMGGH-UHFFFAOYSA-N
XLogP3.23
TPSA118.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine 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 2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine (CID 133405345) is 2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NC(c2nc(-c3ncn[nH]3)no2)C(C)C)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LKIPVEALWFMGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8OS/c1-4-10-19-12(9-5-6-26-16(9)20-10)21-11(8(2)3)15-22-14(24-25-15)13-17-7-18-23-13/h5-8,11H,4H2,1-3H3,(H,17,18,23)(H,19,20,21).
What are the key properties of 2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 370.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133405345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).