4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine

C24H28F3N3OS — CID 58791923

IUPAC4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCCCCCN(C)c1ccc(Nc2nc(Cc3ccc(OC)cc3)cs2)cc1C(F)(F)F
InChIInChI=1S/C24H28F3N3OS/c1-4-5-6-13-30(2)22-12-9-18(15-21(22)24(25,26)27)28-23-29-19(16-32-23)14-17-7-10-20(31-3)11-8-17/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,28,29)
InChIKeyWOKTZWPFCYDTKE-UHFFFAOYSA-N
MW463.57 g/mol
LogP7.13
Rot. Bonds10

About 4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine

4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 58791923) has the molecular formula C24H28F3N3OS and a molecular weight of 463.57 g/mol. Its IUPAC name is 4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID58791923
Molecular FormulaC24H28F3N3OS
Molecular Weight463.57 g/mol
Exact Mass463.19
IUPAC Name4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCCCCCN(C)c1ccc(Nc2nc(Cc3ccc(OC)cc3)cs2)cc1C(F)(F)F
InChIInChI=1S/C24H28F3N3OS/c1-4-5-6-13-30(2)22-12-9-18(15-21(22)24(25,26)27)28-23-29-19(16-32-23)14-17-7-10-20(31-3)11-8-17/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,28,29)
InChIKeyWOKTZWPFCYDTKE-UHFFFAOYSA-N
XLogP7.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.57
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine (CID 58791923) is 4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine is CCCCCN(C)c1ccc(Nc2nc(Cc3ccc(OC)cc3)cs2)cc1C(F)(F)F.
What is the InChIKey of 4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is WOKTZWPFCYDTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3OS/c1-4-5-6-13-30(2)22-12-9-18(15-21(22)24(25,26)27)28-23-29-19(16-32-23)14-17-7-10-20(31-3)11-8-17/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,28,29).
What are the key properties of 4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine?
4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 463.57 g/mol, XLogP of 7.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-N-methyl-1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 58791923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).