1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide

C12H14N4OS — CID 35790074

IUPAC1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C12H14N4OS/c13-11(17)8-1-4-16(5-2-8)12-10-9(3-6-18-10)14-7-15-12/h3,6-8H,1-2,4-5H2,(H2,13,17)
InChIKeyOJTMSABKPRERIT-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.39
Rot. Bonds2

About 1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide

1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide (PubChem CID 35790074) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide
PubChem CID35790074
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C12H14N4OS/c13-11(17)8-1-4-16(5-2-8)12-10-9(3-6-18-10)14-7-15-12/h3,6-8H,1-2,4-5H2,(H2,13,17)
InChIKeyOJTMSABKPRERIT-UHFFFAOYSA-N
XLogP1.39
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-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 1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide?
The IUPAC name of 1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide (CID 35790074) is 1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide is NC(=O)C1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of 1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide?
The InChIKey is OJTMSABKPRERIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c13-11(17)8-1-4-16(5-2-8)12-10-9(3-6-18-10)14-7-15-12/h3,6-8H,1-2,4-5H2,(H2,13,17).
What are the key properties of 1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide?
1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 35790074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).