7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H17N3O3S — CID 17400460

IUPAC7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(C)Cc3ccc4c(c3)OCO4)cc(=O)n12
InChIInChI=1S/C17H17N3O3S/c1-11-9-24-17-18-13(6-16(21)20(11)17)8-19(2)7-12-3-4-14-15(5-12)23-10-22-14/h3-6,9H,7-8,10H2,1-2H3
InChIKeyUVOXOMONLYVDSZ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.43
Rot. Bonds4

About 7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 17400460) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID17400460
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(C)Cc3ccc4c(c3)OCO4)cc(=O)n12
InChIInChI=1S/C17H17N3O3S/c1-11-9-24-17-18-13(6-16(21)20(11)17)8-19(2)7-12-3-4-14-15(5-12)23-10-22-14/h3-6,9H,7-8,10H2,1-2H3
InChIKeyUVOXOMONLYVDSZ-UHFFFAOYSA-N
XLogP2.43
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51178605
7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92846439
7-[[benzyl(propyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357792
4-[[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]benzamide
CID 42948155
7-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357949
2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 54900295
7-[[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51471583
1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084068
4-[(1R)-1-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]ethyl]benzenesulfonamide
CID 51470240
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-chlorophenyl)acetate
CID 7750372
7-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 110881828
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 24594736

Frequently Asked Questions

What is the IUPAC name of 7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 17400460) is 7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN(C)Cc3ccc4c(c3)OCO4)cc(=O)n12.
What is the InChIKey of 7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UVOXOMONLYVDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-9-24-17-18-13(6-16(21)20(11)17)8-19(2)7-12-3-4-14-15(5-12)23-10-22-14/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of 7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 343.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 17400460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).