5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C20H17Cl3F3N3OS — CID 10142290

IUPAC5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESC=C(C)CN(Cc1ccco1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
InChIInChI=1S/C20H17Cl3F3N3OS/c1-11(2)8-29(9-13-4-3-5-30-13)10-16-18(20(24,25)26)28-19(31-16)27-17-14(22)6-12(21)7-15(17)23/h3-7H,1,8-10H2,2H3,(H,27,28)
InChIKeyYQLIOYQMEVSOEW-UHFFFAOYSA-N
MW510.80 g/mol
LogP8.04
Rot. Bonds8

About 5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 10142290) has the molecular formula C20H17Cl3F3N3OS and a molecular weight of 510.80 g/mol. Its IUPAC name is 5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID10142290
Molecular FormulaC20H17Cl3F3N3OS
Molecular Weight510.80 g/mol
Exact Mass509.01
IUPAC Name5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESC=C(C)CN(Cc1ccco1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
InChIInChI=1S/C20H17Cl3F3N3OS/c1-11(2)8-29(9-13-4-3-5-30-13)10-16-18(20(24,25)26)28-19(31-16)27-17-14(22)6-12(21)7-15(17)23/h3-7H,1,8-10H2,2H3,(H,27,28)
InChIKeyYQLIOYQMEVSOEW-UHFFFAOYSA-N
XLogP8.04
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.80
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine 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

{5-[(Furan-2-ylmethyl-propyl-amino)-methyl]-4-trifluoromethyl-thiazol-2-yl}-(2,4,6-trichloro-phenyl)-amine
CID 18672270
2-[(2-chlorophenyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 647485
Furan-2-carboxylic acid {4-[(4-chloro-phenylcarbamoyl)-methyl]-thiazol-2-yl}-ethyl-amide
CID 648157
2-[acetyl(2-furanylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-4-thiazolecarboxamide
CID 1079280
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide
CID 1455394
2-(3-(3-chlorophenyl)ureido)-N-(furan-2-ylmethyl)-4-methylthiazole-5-carboxamide
CID 16897454
2-(2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)-N-[(furan-2-yl)methyl]acetamide
CID 18567588
2-(2-((3-chlorophenyl)amino)thiazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 27377961
N-(3-Chloro-4-fluorophenyl)-2-{[(furan-2-YL)methyl]amino}-4-methyl-1,3-thiazole-5-carboxamide
CID 53152866
N-(4-chlorophenyl)-2-[cyclopropanecarbonyl(furan-2-ylmethyl)amino]-5-methyl-1,3-thiazole-4-carboxamide
CID 1455393
N-(4-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468156
N-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-5-methyl-1,3-thiazole-4-carboxamide
CID 859000

Frequently Asked Questions

What is the IUPAC name of 5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 10142290) is 5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is C=C(C)CN(Cc1ccco1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F.
What is the InChIKey of 5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is YQLIOYQMEVSOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl3F3N3OS/c1-11(2)8-29(9-13-4-3-5-30-13)10-16-18(20(24,25)26)28-19(31-16)27-17-14(22)6-12(21)7-15(17)23/h3-7H,1,8-10H2,2H3,(H,27,28).
What are the key properties of 5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 510.80 g/mol, XLogP of 8.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 10142290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).