N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H16N4O3S — CID 126469266

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)N(C)CC(=O)N(C)C)cnc2s1
InChIInChI=1S/C13H16N4O3S/c1-8-6-17-12(20)9(5-14-13(17)21-8)11(19)16(4)7-10(18)15(2)3/h5-6H,7H2,1-4H3
InChIKeyOIYDKIJQGJHCRN-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.22
Rot. Bonds3

About N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469266) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469266
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)N(C)CC(=O)N(C)C)cnc2s1
InChIInChI=1S/C13H16N4O3S/c1-8-6-17-12(20)9(5-14-13(17)21-8)11(19)16(4)7-10(18)15(2)3/h5-6H,7H2,1-4H3
InChIKeyOIYDKIJQGJHCRN-UHFFFAOYSA-N
XLogP0.22
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469266) is N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cn2c(=O)c(C(=O)N(C)CC(=O)N(C)C)cnc2s1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OIYDKIJQGJHCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-8-6-17-12(20)9(5-14-13(17)21-8)11(19)16(4)7-10(18)15(2)3/h5-6H,7H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).