3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

C20H25N5O2S2 — CID 29329300

IUPAC3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1sc2ncn(CCC(=O)Nc3nc(CN4CCCCC4)cs3)c(=O)c2c1C
InChIInChI=1S/C20H25N5O2S2/c1-13-14(2)29-18-17(13)19(27)25(12-21-18)9-6-16(26)23-20-22-15(11-28-20)10-24-7-4-3-5-8-24/h11-12H,3-10H2,1-2H3,(H,22,23,26)
InChIKeyVDWVLYHYRUUYQM-UHFFFAOYSA-N
MW431.59 g/mol
LogP3.55
Rot. Bonds6

About 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 29329300) has the molecular formula C20H25N5O2S2 and a molecular weight of 431.59 g/mol. Its IUPAC name is 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID29329300
Molecular FormulaC20H25N5O2S2
Molecular Weight431.59 g/mol
Exact Mass431.14
IUPAC Name3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1sc2ncn(CCC(=O)Nc3nc(CN4CCCCC4)cs3)c(=O)c2c1C
InChIInChI=1S/C20H25N5O2S2/c1-13-14(2)29-18-17(13)19(27)25(12-21-18)9-6-16(26)23-20-22-15(11-28-20)10-24-7-4-3-5-8-24/h11-12H,3-10H2,1-2H3,(H,22,23,26)
InChIKeyVDWVLYHYRUUYQM-UHFFFAOYSA-N
XLogP3.55
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.59
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide 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 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (CID 29329300) is 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is Cc1sc2ncn(CCC(=O)Nc3nc(CN4CCCCC4)cs3)c(=O)c2c1C.
What is the InChIKey of 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is VDWVLYHYRUUYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S2/c1-13-14(2)29-18-17(13)19(27)25(12-21-18)9-6-16(26)23-20-22-15(11-28-20)10-24-7-4-3-5-8-24/h11-12H,3-10H2,1-2H3,(H,22,23,26).
What are the key properties of 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 431.59 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 29329300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).