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

C12H15N3O2S — CID 53011838

IUPACN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)C(C)C
InChIInChI=1S/C12H15N3O2S/c1-6(2)10(16)14-9-8(4)13-12-15(11(9)17)7(3)5-18-12/h5-6H,1-4H3,(H,14,16)
InChIKeyLVJVDFLCCKPTRM-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.97
Rot. Bonds2

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

N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide (PubChem CID 53011838) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide
PubChem CID53011838
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)C(C)C
InChIInChI=1S/C12H15N3O2S/c1-6(2)10(16)14-9-8(4)13-12-15(11(9)17)7(3)5-18-12/h5-6H,1-4H3,(H,14,16)
InChIKeyLVJVDFLCCKPTRM-UHFFFAOYSA-N
XLogP1.97
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.97
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)-2-methylpropanamide?
The IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide (CID 53011838) is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide.
What is the SMILES notation for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide?
The canonical SMILES for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide is Cc1nc2scc(C)n2c(=O)c1NC(=O)C(C)C.
What is the InChIKey of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide?
The InChIKey is LVJVDFLCCKPTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-6(2)10(16)14-9-8(4)13-12-15(11(9)17)7(3)5-18-12/h5-6H,1-4H3,(H,14,16).
What are the key properties of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide?
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide has a molecular weight of 265.34 g/mol, XLogP of 1.97, 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)-2-methylpropanamide is sourced from PubChem (CID 53011838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).