(3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide

C17H19N5OS2 — CID 164635630

IUPAC(3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
SMILESCN(Cc1nccs1)C(=O)[C@H]1CCCN(c2ncnc3sccc23)C1
InChIInChI=1S/C17H19N5OS2/c1-21(10-14-18-5-8-24-14)17(23)12-3-2-6-22(9-12)15-13-4-7-25-16(13)20-11-19-15/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3/t12-/m0/s1
InChIKeyKFZWOTSSCQYJBU-LBPRGKRZSA-N
MW373.51 g/mol
LogP3.02
Rot. Bonds4

About (3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide

(3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide (PubChem CID 164635630) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is (3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
PubChem CID164635630
Molecular FormulaC17H19N5OS2
Molecular Weight373.51 g/mol
Exact Mass373.10
IUPAC Name(3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
SMILESCN(Cc1nccs1)C(=O)[C@H]1CCCN(c2ncnc3sccc23)C1
InChIInChI=1S/C17H19N5OS2/c1-21(10-14-18-5-8-24-14)17(23)12-3-2-6-22(9-12)15-13-4-7-25-16(13)20-11-19-15/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3/t12-/m0/s1
InChIKeyKFZWOTSSCQYJBU-LBPRGKRZSA-N
XLogP3.02
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-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 (3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide (CID 164635630) is (3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide is CN(Cc1nccs1)C(=O)[C@H]1CCCN(c2ncnc3sccc23)C1.
What is the InChIKey of (3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide?
The InChIKey is KFZWOTSSCQYJBU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N5OS2/c1-21(10-14-18-5-8-24-14)17(23)12-3-2-6-22(9-12)15-13-4-7-25-16(13)20-11-19-15/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide?
(3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide has a molecular weight of 373.51 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 164635630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).