8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C14H12N4O2S — CID 7117178

IUPAC8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)Nc3nc(C)cs3)cnc2c1
InChIInChI=1S/C14H12N4O2S/c1-8-3-4-18-11(5-8)15-6-10(13(18)20)12(19)17-14-16-9(2)7-21-14/h3-7H,1-2H3,(H,16,17,19)
InChIKeyPKOFLPBNTXWQIT-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.02
Rot. Bonds2

About 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 7117178) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID7117178
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)Nc3nc(C)cs3)cnc2c1
InChIInChI=1S/C14H12N4O2S/c1-8-3-4-18-11(5-8)15-6-10(13(18)20)12(19)17-14-16-9(2)7-21-14/h3-7H,1-2H3,(H,16,17,19)
InChIKeyPKOFLPBNTXWQIT-UHFFFAOYSA-N
XLogP2.02
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 7117178) is 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)Nc3nc(C)cs3)cnc2c1.
What is the InChIKey of 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is PKOFLPBNTXWQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-8-3-4-18-11(5-8)15-6-10(13(18)20)12(19)17-14-16-9(2)7-21-14/h3-7H,1-2H3,(H,16,17,19).
What are the key properties of 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 7117178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).