7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C20H19N3O3S — CID 2939982

IUPAC7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)N2C(=O)CSC2=N1
InChIInChI=1S/C20H19N3O3S/c1-11-6-4-5-7-14(11)22-19(25)17-13(3)21-20-23(16(24)10-27-20)18(17)15-9-8-12(2)26-15/h4-9,18H,10H2,1-3H3,(H,22,25)
InChIKeyJJFSAPVMKYCMBQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.80
Rot. Bonds3

About 7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 2939982) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID2939982
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)N2C(=O)CSC2=N1
InChIInChI=1S/C20H19N3O3S/c1-11-6-4-5-7-14(11)22-19(25)17-13(3)21-20-23(16(24)10-27-20)18(17)15-9-8-12(2)26-15/h4-9,18H,10H2,1-3H3,(H,22,25)
InChIKeyJJFSAPVMKYCMBQ-UHFFFAOYSA-N
XLogP3.80
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 2939982) is 7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)N2C(=O)CSC2=N1.
What is the InChIKey of 7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JJFSAPVMKYCMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-11-6-4-5-7-14(11)22-19(25)17-13(3)21-20-23(16(24)10-27-20)18(17)15-9-8-12(2)26-15/h4-9,18H,10H2,1-3H3,(H,22,25).
What are the key properties of 7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2939982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).