2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide

C12H17N5O2S — CID 18166949

IUPAC2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nn2c(=O)cc(C)nc2s1
InChIInChI=1S/C12H17N5O2S/c1-4-5-13-9(18)7-16(3)12-15-17-10(19)6-8(2)14-11(17)20-12/h6H,4-5,7H2,1-3H3,(H,13,18)
InChIKeyDWTRDAHEUMUPRM-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.42
Rot. Bonds5

About 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide

2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide (PubChem CID 18166949) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide
PubChem CID18166949
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nn2c(=O)cc(C)nc2s1
InChIInChI=1S/C12H17N5O2S/c1-4-5-13-9(18)7-16(3)12-15-17-10(19)6-8(2)14-11(17)20-12/h6H,4-5,7H2,1-3H3,(H,13,18)
InChIKeyDWTRDAHEUMUPRM-UHFFFAOYSA-N
XLogP0.42
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-Methyl-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 6623470
(6-Methyl-2-methylsulfanyl-4-oxo-3,4-dihydro-3-pyrimidinyl)acetic acid hydrazide
CID 15047493
N-(3-Methoxypropyl)-2-[methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL})amino]acetamide
CID 18147159
7-Methyl-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20886260
2-[Methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL})amino]-N-(prop-2-EN-1-YL)acetamide
CID 20886567
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 20893095
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propylpyrrolidine-2-carboxamide
CID 20893096
N-ethyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 20893112
2-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-propylsulfanylpropyl)propanamide
CID 20893133
N-butan-2-yl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
CID 20893138
N-Cyclopentyl-2-[methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL})amino]acetamide
CID 20893142
2-[Methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL})amino]-N-(3-methylbutyl)acetamide
CID 20893146

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide (CID 18166949) is 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide is CCCNC(=O)CN(C)c1nn2c(=O)cc(C)nc2s1.
What is the InChIKey of 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide?
The InChIKey is DWTRDAHEUMUPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-4-5-13-9(18)7-16(3)12-15-17-10(19)6-8(2)14-11(17)20-12/h6H,4-5,7H2,1-3H3,(H,13,18).
What are the key properties of 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide?
2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide has a molecular weight of 295.37 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-propylacetamide is sourced from PubChem (CID 18166949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).