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

C16H22N4O3S — CID 45488375

IUPAC3-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cnc2scc(C(C)(C)C)n2c1=O
InChIInChI=1S/C16H22N4O3S/c1-16(2,3)11-9-24-15-17-7-10(14(23)20(11)15)13(22)19(6)8-12(21)18(4)5/h7,9H,8H2,1-6H3
InChIKeyYXBRLBNGIIEEOM-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.21
Rot. Bonds3

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

3-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 45488375) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID45488375
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name3-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cnc2scc(C(C)(C)C)n2c1=O
InChIInChI=1S/C16H22N4O3S/c1-16(2,3)11-9-24-15-17-7-10(14(23)20(11)15)13(22)19(6)8-12(21)18(4)5/h7,9H,8H2,1-6H3
InChIKeyYXBRLBNGIIEEOM-UHFFFAOYSA-N
XLogP1.21
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-(Diethylamino)-2-oxoethyl)-N,N-diethyl-7-oxo-7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 375437
N-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4193341
6-(4-Ethylpiperazine-1-carbonyl)-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 17248300
N-[2-(diethylamino)ethyl]-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46363958
N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469266
N-[2-(dimethylamino)-2-oxoethyl]-7-ethyl-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469299
3-tert-butyl-N-(2,2-dimethylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469333
3-tert-butyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469350
N-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469585
N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469794
N,3-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469799
3-ethyl-N-methyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469813

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 45488375) is 3-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CN(C)C(=O)CN(C)C(=O)c1cnc2scc(C(C)(C)C)n2c1=O.
What is the InChIKey of 3-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is YXBRLBNGIIEEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-16(2,3)11-9-24-15-17-7-10(14(23)20(11)15)13(22)19(6)8-12(21)18(4)5/h7,9H,8H2,1-6H3.
What are the key properties of 3-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 45488375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).