N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide

C11H13N3O2S — CID 16933547

IUPACN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
SMILESCCC(=O)Nc1c(C)nc2scc(C)n2c1=O
InChIInChI=1S/C11H13N3O2S/c1-4-8(15)13-9-7(3)12-11-14(10(9)16)6(2)5-17-11/h5H,4H2,1-3H3,(H,13,15)
InChIKeyTVVVJKVVVBMGMO-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.72
Rot. Bonds2

About N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide

N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide (PubChem CID 16933547) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
PubChem CID16933547
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
SMILESCCC(=O)Nc1c(C)nc2scc(C)n2c1=O
InChIInChI=1S/C11H13N3O2S/c1-4-8(15)13-9-7(3)12-11-14(10(9)16)6(2)5-17-11/h5H,4H2,1-3H3,(H,13,15)
InChIKeyTVVVJKVVVBMGMO-UHFFFAOYSA-N
XLogP1.72
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide (CID 16933547) is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide is CCC(=O)Nc1c(C)nc2scc(C)n2c1=O.
What is the InChIKey of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
The InChIKey is TVVVJKVVVBMGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-4-8(15)13-9-7(3)12-11-14(10(9)16)6(2)5-17-11/h5H,4H2,1-3H3,(H,13,15).
What are the key properties of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide has a molecular weight of 251.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 16933547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).