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

C19H17N3O3S — CID 2879414

IUPAC7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)o2)N2C(=O)CSC2=N1
InChIInChI=1S/C19H17N3O3S/c1-11-8-9-14(25-11)17-16(18(24)21-13-6-4-3-5-7-13)12(2)20-19-22(17)15(23)10-26-19/h3-9,17H,10H2,1-2H3,(H,21,24)
InChIKeyCZMGLGVMBKIWBX-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.49
Rot. Bonds3

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

7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 2879414) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID2879414
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)o2)N2C(=O)CSC2=N1
InChIInChI=1S/C19H17N3O3S/c1-11-8-9-14(25-11)17-16(18(24)21-13-6-4-3-5-7-13)12(2)20-19-22(17)15(23)10-26-19/h3-9,17H,10H2,1-2H3,(H,21,24)
InChIKeyCZMGLGVMBKIWBX-UHFFFAOYSA-N
XLogP3.49
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-5-(5-methyl-2-furyl)-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 2939982
N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4145705
N-(furan-2-ylmethyl)-2-((6-methyl-4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 4530632
2-[3-(2-furanylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-5-thiazolidinyl]-N-(2-methoxyphenyl)acetamide
CID 5110827
2-benzylidene-7-methyl-5-(5-methyl-2-furyl)-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5737821
(2Z)-2-(furan-2-ylmethylidene)-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5931651
(2Z)-5-(4-fluorophenyl)-7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5928022
N-(2-furylmethyl)-2-{[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)-3,4-dihydroquinazolin-2-yl]thio}acetamide
CID 3238610
N-(4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4345536
2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 5224115
2-benzylidene-7-methyl-5-(5-methyl-2-furyl)-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5728072
6-methyl-4-(5-methylfuran-2-yl)-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2879627

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 2879414) is 7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)o2)N2C(=O)CSC2=N1.
What is the InChIKey of 7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CZMGLGVMBKIWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-11-8-9-14(25-11)17-16(18(24)21-13-6-4-3-5-7-13)12(2)20-19-22(17)15(23)10-26-19/h3-9,17H,10H2,1-2H3,(H,21,24).
What are the key properties of 7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.49, 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)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2879414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).