1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea

C19H14ClF3N6O2S — CID 2745930

IUPAC1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea
SMILESCc1c(NC(=O)NNc2ccc(OC(F)(F)F)cc2)sc2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C19H14ClF3N6O2S/c1-10-16(32-18-24-15(28-29(10)18)11-2-4-12(20)5-3-11)25-17(30)27-26-13-6-8-14(9-7-13)31-19(21,22)23/h2-9,26H,1H3,(H2,25,27,30)
InChIKeyCQHURCQTKQZLDP-UHFFFAOYSA-N
MW482.88 g/mol
LogP5.47
Rot. Bonds5

About 1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea

1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea (PubChem CID 2745930) has the molecular formula C19H14ClF3N6O2S and a molecular weight of 482.88 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea
PubChem CID2745930
Molecular FormulaC19H14ClF3N6O2S
Molecular Weight482.88 g/mol
Exact Mass482.05
IUPAC Name1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea
SMILESCc1c(NC(=O)NNc2ccc(OC(F)(F)F)cc2)sc2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C19H14ClF3N6O2S/c1-10-16(32-18-24-15(28-29(10)18)11-2-4-12(20)5-3-11)25-17(30)27-26-13-6-8-14(9-7-13)31-19(21,22)23/h2-9,26H,1H3,(H2,25,27,30)
InChIKeyCQHURCQTKQZLDP-UHFFFAOYSA-N
XLogP5.47
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.88
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea 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

2-((5-(4-chlorophenyl)thiazolo[2,3-c][1,2,4]triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 1281418
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
CID 54613443
1-[4-(2,6-Dichlorophenyl)-1,3-thiazol-5-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea
CID 121429672
1-[4-[(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]-1,3-thiazol-5-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea
CID 145106015
[[amino-[4-(trifluoromethoxy)phenyl]methylidene]amino] N-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]carbamate
CID 2745898
[(Z)-[amino-[4-(trifluoromethoxy)phenyl]methylidene]amino] N-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]carbamate
CID 5704239
[(E)-[amino-[4-(trifluoromethoxy)phenyl]methylidene]amino] N-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]carbamate
CID 6383690
N1-(3-chloro-4-fluorophenyl)-N2-(2-(2-(4-methoxyphenyl)-6-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl)oxalamide
CID 18575074
1-[4-(2-Chloro-6-methylphenyl)-1,3-thiazol-5-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea
CID 160902281
3-{[5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)propanamide
CID 983877
1-[(4-Chlorophenyl)methyl]-3-{2-[2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl]ethyl}urea
CID 45564348
2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3167579

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea (CID 2745930) is 1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea is Cc1c(NC(=O)NNc2ccc(OC(F)(F)F)cc2)sc2nc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of 1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea?
The InChIKey is CQHURCQTKQZLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N6O2S/c1-10-16(32-18-24-15(28-29(10)18)11-2-4-12(20)5-3-11)25-17(30)27-26-13-6-8-14(9-7-13)31-19(21,22)23/h2-9,26H,1H3,(H2,25,27,30).
What are the key properties of 1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea?
1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea has a molecular weight of 482.88 g/mol, XLogP of 5.47, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-[4-(trifluoromethoxy)anilino]urea is sourced from PubChem (CID 2745930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).