7-methyl-3-oxo-5-phenyl-N-pyridin-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C19H16N4O2S — CID 139215154

IUPAC7-methyl-3-oxo-5-phenyl-N-pyridin-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccccc2)N2C(=O)CSC2=N1
InChIInChI=1S/C19H16N4O2S/c1-12-16(18(25)22-14-9-5-6-10-20-14)17(13-7-3-2-4-8-13)23-15(24)11-26-19(23)21-12/h2-10,17H,11H2,1H3,(H,20,22,25)
InChIKeyXDMIUOTWMFOQJW-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.98
Rot. Bonds3

About 7-methyl-3-oxo-5-phenyl-N-pyridin-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-methyl-3-oxo-5-phenyl-N-pyridin-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 139215154) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 7-methyl-3-oxo-5-phenyl-N-pyridin-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-3-oxo-5-phenyl-N-pyridin-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID139215154
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name7-methyl-3-oxo-5-phenyl-N-pyridin-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccccc2)N2C(=O)CSC2=N1
InChIInChI=1S/C19H16N4O2S/c1-12-16(18(25)22-14-9-5-6-10-20-14)17(13-7-3-2-4-8-13)23-15(24)11-26-19(23)21-12/h2-10,17H,11H2,1H3,(H,20,22,25)
InChIKeyXDMIUOTWMFOQJW-UHFFFAOYSA-N
XLogP2.98
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-oxo-5-phenyl-N-pyridin-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-3-oxo-5-phenyl-N-pyridin-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 139215154) is 7-methyl-3-oxo-5-phenyl-N-pyridin-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-3-oxo-5-phenyl-N-pyridin-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-3-oxo-5-phenyl-N-pyridin-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccn2)C(c2ccccc2)N2C(=O)CSC2=N1.
What is the InChIKey of 7-methyl-3-oxo-5-phenyl-N-pyridin-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XDMIUOTWMFOQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-16(18(25)22-14-9-5-6-10-20-14)17(13-7-3-2-4-8-13)23-15(24)11-26-19(23)21-12/h2-10,17H,11H2,1H3,(H,20,22,25).
What are the key properties of 7-methyl-3-oxo-5-phenyl-N-pyridin-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-methyl-3-oxo-5-phenyl-N-pyridin-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-oxo-5-phenyl-N-pyridin-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 139215154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).