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

C14H13N3O3S — CID 46363987

IUPACN-[2-(furan-2-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCc3ccco3)c(=O)n12
InChIInChI=1S/C14H13N3O3S/c1-9-8-21-14-16-7-11(13(19)17(9)14)12(18)15-5-4-10-3-2-6-20-10/h2-3,6-8H,4-5H2,1H3,(H,15,18)
InChIKeySZTYOOLXPIIPDO-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.63
Rot. Bonds4

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

N-[2-(furan-2-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46363987) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46363987
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCc3ccco3)c(=O)n12
InChIInChI=1S/C14H13N3O3S/c1-9-8-21-14-16-7-11(13(19)17(9)14)12(18)15-5-4-10-3-2-6-20-10/h2-3,6-8H,4-5H2,1H3,(H,15,18)
InChIKeySZTYOOLXPIIPDO-UHFFFAOYSA-N
XLogP1.63
TPSA76.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46363987) is N-[2-(furan-2-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NCCc3ccco3)c(=O)n12.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SZTYOOLXPIIPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-9-8-21-14-16-7-11(13(19)17(9)14)12(18)15-5-4-10-3-2-6-20-10/h2-3,6-8H,4-5H2,1H3,(H,15,18).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(furan-2-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46363987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).