2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide

C17H17N3O2S2 — CID 53152856

IUPAC2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
SMILESCSc1cccc(NC(=O)c2sc(NCc3ccco3)nc2C)c1
InChIInChI=1S/C17H17N3O2S2/c1-11-15(16(21)20-12-5-3-7-14(9-12)23-2)24-17(19-11)18-10-13-6-4-8-22-13/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyKIRAJFBQLMJDFO-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.63
Rot. Bonds6

About 2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide

2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 53152856) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID53152856
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
SMILESCSc1cccc(NC(=O)c2sc(NCc3ccco3)nc2C)c1
InChIInChI=1S/C17H17N3O2S2/c1-11-15(16(21)20-12-5-3-7-14(9-12)23-2)24-17(19-11)18-10-13-6-4-8-22-13/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyKIRAJFBQLMJDFO-UHFFFAOYSA-N
XLogP4.63
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152853
2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 47097986
2-(4-fluoroanilino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 30142360
N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide
CID 45491510
N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468179
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55704554
4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110386385
2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide
CID 27119061
2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide
CID 100818248
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109326828

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide (CID 53152856) is 2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide is CSc1cccc(NC(=O)c2sc(NCc3ccco3)nc2C)c1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KIRAJFBQLMJDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-11-15(16(21)20-12-5-3-7-14(9-12)23-2)24-17(19-11)18-10-13-6-4-8-22-13/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53152856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).