2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C16H19N5OS — CID 135862316

IUPAC2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2=NCCCC2)nc2c1CN(Cc1nccs1)CC2
InChIInChI=1S/C16H19N5OS/c22-16-11-9-21(10-14-18-6-8-23-14)7-4-12(11)19-15(20-16)13-3-1-2-5-17-13/h6,8H,1-5,7,9-10H2,(H,19,20,22)
InChIKeyDJFDDJHROLHFBJ-UHFFFAOYSA-N
MW329.43 g/mol
LogP1.76
Rot. Bonds3

About 2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862316) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135862316
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2=NCCCC2)nc2c1CN(Cc1nccs1)CC2
InChIInChI=1S/C16H19N5OS/c22-16-11-9-21(10-14-18-6-8-23-14)7-4-12(11)19-15(20-16)13-3-1-2-5-17-13/h6,8H,1-5,7,9-10H2,(H,19,20,22)
InChIKeyDJFDDJHROLHFBJ-UHFFFAOYSA-N
XLogP1.76
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862316) is 2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2=NCCCC2)nc2c1CN(Cc1nccs1)CC2.
What is the InChIKey of 2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is DJFDDJHROLHFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c22-16-11-9-21(10-14-18-6-8-23-14)7-4-12(11)19-15(20-16)13-3-1-2-5-17-13/h6,8H,1-5,7,9-10H2,(H,19,20,22).
What are the key properties of 2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 329.43 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).