7-methyl-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C19H18N4OS — CID 8615890

IUPAC7-methyl-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(CN(C)Cc3ccc4ccccc4c3)sc2n1
InChIInChI=1S/C19H18N4OS/c1-13-9-18(24)23-19(20-13)25-17(21-23)12-22(2)11-14-7-8-15-5-3-4-6-16(15)10-14/h3-10H,11-12H2,1-2H3
InChIKeyZDQJSMACZIOOAE-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.24
Rot. Bonds4

About 7-methyl-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-methyl-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 8615890) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 7-methyl-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID8615890
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name7-methyl-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(CN(C)Cc3ccc4ccccc4c3)sc2n1
InChIInChI=1S/C19H18N4OS/c1-13-9-18(24)23-19(20-13)25-17(21-23)12-22(2)11-14-7-8-15-5-3-4-6-16(15)10-14/h3-10H,11-12H2,1-2H3
InChIKeyZDQJSMACZIOOAE-UHFFFAOYSA-N
XLogP3.24
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 8615890) is 7-methyl-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(CN(C)Cc3ccc4ccccc4c3)sc2n1.
What is the InChIKey of 7-methyl-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZDQJSMACZIOOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-13-9-18(24)23-19(20-13)25-17(21-23)12-22(2)11-14-7-8-15-5-3-4-6-16(15)10-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 7-methyl-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 350.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 8615890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).