4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide

C16H21N5O2S — CID 71654774

IUPAC4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCC(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C16H21N5O2S/c1-10(22)18-5-2-11-3-6-21(7-4-11)16-14-12(19-9-20-16)8-13(24-14)15(17)23/h8-9,11H,2-7H2,1H3,(H2,17,23)(H,18,22)
InChIKeyKHHINHQHUHGNAF-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.53
Rot. Bonds5

About 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide

4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 71654774) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID71654774
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCC(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C16H21N5O2S/c1-10(22)18-5-2-11-3-6-21(7-4-11)16-14-12(19-9-20-16)8-13(24-14)15(17)23/h8-9,11H,2-7H2,1H3,(H2,17,23)(H,18,22)
InChIKeyKHHINHQHUHGNAF-UHFFFAOYSA-N
XLogP1.53
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide 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 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (CID 71654774) is 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is CC(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1.
What is the InChIKey of 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is KHHINHQHUHGNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10(22)18-5-2-11-3-6-21(7-4-11)16-14-12(19-9-20-16)8-13(24-14)15(17)23/h8-9,11H,2-7H2,1H3,(H2,17,23)(H,18,22).
What are the key properties of 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-acetamidoethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71654774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).