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

C13H18N4O2S — CID 46363931

IUPACN-[2-(diethylamino)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)CCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H18N4O2S/c1-3-16(4-2)6-5-14-11(18)10-9-15-13-17(12(10)19)7-8-20-13/h7-9H,3-6H2,1-2H3,(H,14,18)
InChIKeyFXJYZQBEMNBNIT-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.83
Rot. Bonds6

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

N-[2-(diethylamino)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46363931) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46363931
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[2-(diethylamino)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)CCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H18N4O2S/c1-3-16(4-2)6-5-14-11(18)10-9-15-13-17(12(10)19)7-8-20-13/h7-9H,3-6H2,1-2H3,(H,14,18)
InChIKeyFXJYZQBEMNBNIT-UHFFFAOYSA-N
XLogP0.83
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.83
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]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46363931) is N-[2-(diethylamino)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CC)CCNC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is FXJYZQBEMNBNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-16(4-2)6-5-14-11(18)10-9-15-13-17(12(10)19)7-8-20-13/h7-9H,3-6H2,1-2H3,(H,14,18).
What are the key properties of N-[2-(diethylamino)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(diethylamino)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 0.83, 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]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46363931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).