2-[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C18H20N4OS — CID 71981091

IUPAC2-[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1cc(=O)n2ccccc2n1)Cc1nc2c(s1)CCCC2
InChIInChI=1S/C18H20N4OS/c1-21(12-17-20-14-6-2-3-7-15(14)24-17)11-13-10-18(23)22-9-5-4-8-16(22)19-13/h4-5,8-10H,2-3,6-7,11-12H2,1H3
InChIKeyHAMWDKVSXVIUOS-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.66
Rot. Bonds4

About 2-[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 71981091) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID71981091
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1cc(=O)n2ccccc2n1)Cc1nc2c(s1)CCCC2
InChIInChI=1S/C18H20N4OS/c1-21(12-17-20-14-6-2-3-7-15(14)24-17)11-13-10-18(23)22-9-5-4-8-16(22)19-13/h4-5,8-10H,2-3,6-7,11-12H2,1H3
InChIKeyHAMWDKVSXVIUOS-UHFFFAOYSA-N
XLogP2.66
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 71981091) is 2-[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN(Cc1cc(=O)n2ccccc2n1)Cc1nc2c(s1)CCCC2.
What is the InChIKey of 2-[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HAMWDKVSXVIUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-21(12-17-20-14-6-2-3-7-15(14)24-17)11-13-10-18(23)22-9-5-4-8-16(22)19-13/h4-5,8-10H,2-3,6-7,11-12H2,1H3.
What are the key properties of 2-[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 340.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71981091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).