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

C13H17N3O2S — CID 16933515

IUPACN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,2-dimethylpropanamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)C(C)(C)C
InChIInChI=1S/C13H17N3O2S/c1-7-6-19-12-14-8(2)9(10(17)16(7)12)15-11(18)13(3,4)5/h6H,1-5H3,(H,15,18)
InChIKeyKCRRBXKOVODEKC-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.36
Rot. Bonds1

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

N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,2-dimethylpropanamide (PubChem CID 16933515) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,2-dimethylpropanamide
PubChem CID16933515
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,2-dimethylpropanamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)C(C)(C)C
InChIInChI=1S/C13H17N3O2S/c1-7-6-19-12-14-8(2)9(10(17)16(7)12)15-11(18)13(3,4)5/h6H,1-5H3,(H,15,18)
InChIKeyKCRRBXKOVODEKC-UHFFFAOYSA-N
XLogP2.36
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.36
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)-2,2-dimethylpropanamide?
The IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,2-dimethylpropanamide (CID 16933515) is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,2-dimethylpropanamide is Cc1nc2scc(C)n2c(=O)c1NC(=O)C(C)(C)C.
What is the InChIKey of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,2-dimethylpropanamide?
The InChIKey is KCRRBXKOVODEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-7-6-19-12-14-8(2)9(10(17)16(7)12)15-11(18)13(3,4)5/h6H,1-5H3,(H,15,18).
What are the key properties of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,2-dimethylpropanamide?
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,2-dimethylpropanamide has a molecular weight of 279.37 g/mol, XLogP of 2.36, 1 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)-2,2-dimethylpropanamide is sourced from PubChem (CID 16933515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).