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

C14H20N4O2S — CID 46363958

IUPACN-[2-(diethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)CCNC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C14H20N4O2S/c1-4-17(5-2)7-6-15-12(19)11-8-16-14-18(13(11)20)10(3)9-21-14/h8-9H,4-7H2,1-3H3,(H,15,19)
InChIKeyXYRYZOQOIVCZET-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.14
Rot. Bonds6

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

N-[2-(diethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46363958) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46363958
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[2-(diethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)CCNC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C14H20N4O2S/c1-4-17(5-2)7-6-15-12(19)11-8-16-14-18(13(11)20)10(3)9-21-14/h8-9H,4-7H2,1-3H3,(H,15,19)
InChIKeyXYRYZOQOIVCZET-UHFFFAOYSA-N
XLogP1.14
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46363958) is N-[2-(diethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CC)CCNC(=O)c1cnc2scc(C)n2c1=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XYRYZOQOIVCZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-17(5-2)7-6-15-12(19)11-8-16-14-18(13(11)20)10(3)9-21-14/h8-9H,4-7H2,1-3H3,(H,15,19).
What are the key properties of N-[2-(diethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(diethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46363958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).