7-[[ethyl(pyridin-2-yl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile

C16H15N5OS — CID 118009565

IUPAC7-[[ethyl(pyridin-2-yl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile
SMILESCCN(Cc1cc(=O)n2c(C#N)c(C)sc2n1)c1ccccn1
InChIInChI=1S/C16H15N5OS/c1-3-20(14-6-4-5-7-18-14)10-12-8-15(22)21-13(9-17)11(2)23-16(21)19-12/h4-8H,3,10H2,1-2H3
InChIKeyMCPHRPHEPWXYPJ-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.36
Rot. Bonds4

About 7-[[ethyl(pyridin-2-yl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile

7-[[ethyl(pyridin-2-yl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile (PubChem CID 118009565) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 7-[[ethyl(pyridin-2-yl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-[[ethyl(pyridin-2-yl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile
PubChem CID118009565
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name7-[[ethyl(pyridin-2-yl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile
SMILESCCN(Cc1cc(=O)n2c(C#N)c(C)sc2n1)c1ccccn1
InChIInChI=1S/C16H15N5OS/c1-3-20(14-6-4-5-7-18-14)10-12-8-15(22)21-13(9-17)11(2)23-16(21)19-12/h4-8H,3,10H2,1-2H3
InChIKeyMCPHRPHEPWXYPJ-UHFFFAOYSA-N
XLogP2.36
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[ethyl(pyridin-2-yl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-[[ethyl(pyridin-2-yl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile (CID 118009565) is 7-[[ethyl(pyridin-2-yl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-[[ethyl(pyridin-2-yl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-[[ethyl(pyridin-2-yl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile is CCN(Cc1cc(=O)n2c(C#N)c(C)sc2n1)c1ccccn1.
What is the InChIKey of 7-[[ethyl(pyridin-2-yl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile?
The InChIKey is MCPHRPHEPWXYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-3-20(14-6-4-5-7-18-14)10-12-8-15(22)21-13(9-17)11(2)23-16(21)19-12/h4-8H,3,10H2,1-2H3.
What are the key properties of 7-[[ethyl(pyridin-2-yl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile?
7-[[ethyl(pyridin-2-yl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile has a molecular weight of 325.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[ethyl(pyridin-2-yl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 118009565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).