N-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine

C21H16F6N4S — CID 24817253

IUPACN-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(NCCn3c(C(F)(F)F)nc4cc(C(F)(F)F)ccc43)n2)cc1
InChIInChI=1S/C21H16F6N4S/c1-12-2-4-13(5-3-12)16-11-32-19(30-16)28-8-9-31-17-7-6-14(20(22,23)24)10-15(17)29-18(31)21(25,26)27/h2-7,10-11H,8-9H2,1H3,(H,28,30)
InChIKeyIVFGSNFUPMEEPE-UHFFFAOYSA-N
MW470.44 g/mol
LogP6.62
Rot. Bonds5

About N-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine

N-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 24817253) has the molecular formula C21H16F6N4S and a molecular weight of 470.44 g/mol. Its IUPAC name is N-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID24817253
Molecular FormulaC21H16F6N4S
Molecular Weight470.44 g/mol
Exact Mass470.10
IUPAC NameN-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(NCCn3c(C(F)(F)F)nc4cc(C(F)(F)F)ccc43)n2)cc1
InChIInChI=1S/C21H16F6N4S/c1-12-2-4-13(5-3-12)16-11-32-19(30-16)28-8-9-31-17-7-6-14(20(22,23)24)10-15(17)29-18(31)21(25,26)27/h2-7,10-11H,8-9H2,1H3,(H,28,30)
InChIKeyIVFGSNFUPMEEPE-UHFFFAOYSA-N
XLogP6.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.44
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine (CID 24817253) is N-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(-c2csc(NCCn3c(C(F)(F)F)nc4cc(C(F)(F)F)ccc43)n2)cc1.
What is the InChIKey of N-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is IVFGSNFUPMEEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F6N4S/c1-12-2-4-13(5-3-12)16-11-32-19(30-16)28-8-9-31-17-7-6-14(20(22,23)24)10-15(17)29-18(31)21(25,26)27/h2-7,10-11H,8-9H2,1H3,(H,28,30).
What are the key properties of N-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
N-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 470.44 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,5-bis(trifluoromethyl)benzimidazol-1-yl]ethyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 24817253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).