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

C19H17Cl3F3N3OS — CID 18672270

IUPAC5-[[furan-2-ylmethyl(propyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCCN(Cc1ccco1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
InChIInChI=1S/C19H17Cl3F3N3OS/c1-2-5-28(9-12-4-3-6-29-12)10-15-17(19(23,24)25)27-18(30-15)26-16-13(21)7-11(20)8-14(16)22/h3-4,6-8H,2,5,9-10H2,1H3,(H,26,27)
InChIKeyPJGWWISLFHNXEK-UHFFFAOYSA-N
MW498.79 g/mol
LogP7.87
Rot. Bonds8

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

5-[[furan-2-ylmethyl(propyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 18672270) has the molecular formula C19H17Cl3F3N3OS and a molecular weight of 498.79 g/mol. Its IUPAC name is 5-[[furan-2-ylmethyl(propyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[furan-2-ylmethyl(propyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID18672270
Molecular FormulaC19H17Cl3F3N3OS
Molecular Weight498.79 g/mol
Exact Mass497.01
IUPAC Name5-[[furan-2-ylmethyl(propyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCCN(Cc1ccco1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
InChIInChI=1S/C19H17Cl3F3N3OS/c1-2-5-28(9-12-4-3-6-29-12)10-15-17(19(23,24)25)27-18(30-15)26-16-13(21)7-11(20)8-14(16)22/h3-4,6-8H,2,5,9-10H2,1H3,(H,26,27)
InChIKeyPJGWWISLFHNXEK-UHFFFAOYSA-N
XLogP7.87
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.79
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(2,4-dichloroanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-furancarboxamide
CID 11958801
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
N-(4-(2-(4-(2-chlorophenyl)piperazin-1-yl)-2-oxoethyl)thiazol-2-yl)furan-2-carboxamide
CID 18568181
2-(2-((3-chlorophenyl)amino)thiazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 27377961
3-(1-{2-[(2,3-Dichlorophenyl)amino]-1,3-thiazol-4-YL}-N-[(furan-2-YL)methyl]formamido)-N-(propan-2-YL)propanamide
CID 46137326
5-[[furan-2-ylmethyl(2-methylprop-2-enyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 10142290
N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26585879

Frequently Asked Questions

What is the IUPAC name of 5-[[furan-2-ylmethyl(propyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[[furan-2-ylmethyl(propyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 18672270) is 5-[[furan-2-ylmethyl(propyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[furan-2-ylmethyl(propyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[furan-2-ylmethyl(propyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is CCCN(Cc1ccco1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F.
What is the InChIKey of 5-[[furan-2-ylmethyl(propyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is PJGWWISLFHNXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3F3N3OS/c1-2-5-28(9-12-4-3-6-29-12)10-15-17(19(23,24)25)27-18(30-15)26-16-13(21)7-11(20)8-14(16)22/h3-4,6-8H,2,5,9-10H2,1H3,(H,26,27).
What are the key properties of 5-[[furan-2-ylmethyl(propyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
5-[[furan-2-ylmethyl(propyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 498.79 g/mol, XLogP of 7.87, 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(propyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 18672270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).