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

C15H15N3O3S — CID 46363969

IUPACN-[1-(furan-2-yl)propan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NC(C)Cc3ccco3)c(=O)n12
InChIInChI=1S/C15H15N3O3S/c1-9(6-11-4-3-5-21-11)17-13(19)12-7-16-15-18(14(12)20)10(2)8-22-15/h3-5,7-9H,6H2,1-2H3,(H,17,19)
InChIKeyIMVXUBIUHRFAQH-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.02
Rot. Bonds4

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

N-[1-(furan-2-yl)propan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46363969) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46363969
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NC(C)Cc3ccco3)c(=O)n12
InChIInChI=1S/C15H15N3O3S/c1-9(6-11-4-3-5-21-11)17-13(19)12-7-16-15-18(14(12)20)10(2)8-22-15/h3-5,7-9H,6H2,1-2H3,(H,17,19)
InChIKeyIMVXUBIUHRFAQH-UHFFFAOYSA-N
XLogP2.02
TPSA76.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46363969) is N-[1-(furan-2-yl)propan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NC(C)Cc3ccco3)c(=O)n12.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IMVXUBIUHRFAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9(6-11-4-3-5-21-11)17-13(19)12-7-16-15-18(14(12)20)10(2)8-22-15/h3-5,7-9H,6H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[1-(furan-2-yl)propan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46363969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).