N-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-2-piperidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide

C18H24N6O2S — CID 135719833

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-2-piperidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCc3nc(N4CCCCC4)[nH]c(=O)c3C2)n1
InChIInChI=1S/C18H24N6O2S/c1-12-11-27-18(19-12)21-15(25)10-23-8-5-14-13(9-23)16(26)22-17(20-14)24-6-3-2-4-7-24/h11H,2-10H2,1H3,(H,19,21,25)(H,20,22,26)
InChIKeyNXEMIOFGTRKRCW-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.52
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-2-piperidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-2-piperidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide (PubChem CID 135719833) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-2-piperidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-2-piperidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
PubChem CID135719833
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-2-piperidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCc3nc(N4CCCCC4)[nH]c(=O)c3C2)n1
InChIInChI=1S/C18H24N6O2S/c1-12-11-27-18(19-12)21-15(25)10-23-8-5-14-13(9-23)16(26)22-17(20-14)24-6-3-2-4-7-24/h11H,2-10H2,1H3,(H,19,21,25)(H,20,22,26)
InChIKeyNXEMIOFGTRKRCW-UHFFFAOYSA-N
XLogP1.52
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-2-piperidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-2-piperidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide (CID 135719833) is N-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-2-piperidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-2-piperidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-2-piperidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide is Cc1csc(NC(=O)CN2CCc3nc(N4CCCCC4)[nH]c(=O)c3C2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-2-piperidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
The InChIKey is NXEMIOFGTRKRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-12-11-27-18(19-12)21-15(25)10-23-8-5-14-13(9-23)16(26)22-17(20-14)24-6-3-2-4-7-24/h11H,2-10H2,1H3,(H,19,21,25)(H,20,22,26).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-2-piperidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-2-piperidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide has a molecular weight of 388.50 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-2-piperidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 135719833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).