N-[2-(diethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H20N4O3S — CID 135853381

IUPACN-[2-(diethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(O)nc2scc(C)n2c1=O
InChIInChI=1S/C14H20N4O3S/c1-4-17(5-2)7-6-15-11(19)10-12(20)16-14-18(13(10)21)9(3)8-22-14/h8,20H,4-7H2,1-3H3,(H,15,19)
InChIKeyGZRXVJKOFONAGA-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.84
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(diethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853381) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853381
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-[2-(diethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(O)nc2scc(C)n2c1=O
InChIInChI=1S/C14H20N4O3S/c1-4-17(5-2)7-6-15-11(19)10-12(20)16-14-18(13(10)21)9(3)8-22-14/h8,20H,4-7H2,1-3H3,(H,15,19)
InChIKeyGZRXVJKOFONAGA-UHFFFAOYSA-N
XLogP0.84
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-hydroxy-3-methyl-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853378
N-cyclohexyl-7-hydroxy-3-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853354
N-cycloheptyl-7-hydroxy-3-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853358
7-hydroxy-3-methyl-N-(2-morpholinoethyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853382
7-hydroxy-N-(3-methylbutyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853292
7-hydroxy-N-(2-hydroxypropyl)-3-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853348
N-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853380
7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853383
7-hydroxy-3-methyl-5-oxo-N-propyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135874237
3-methyl-5-oxo-N-(2-sulfanylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 177680073
7-hydroxy-N-isobutyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853289
N-butyl-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853287

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853381) is N-[2-(diethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CC)CCNC(=O)c1c(O)nc2scc(C)n2c1=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GZRXVJKOFONAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-4-17(5-2)7-6-15-11(19)10-12(20)16-14-18(13(10)21)9(3)8-22-14/h8,20H,4-7H2,1-3H3,(H,15,19).
What are the key properties of N-[2-(diethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(diethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).