4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C25H18F3N3S — CID 2121058

IUPAC4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCn1c(-c2ccccc2)c(-c2csc(Nc3ccccc3C(F)(F)F)n2)c2ccccc21
InChIInChI=1S/C25H18F3N3S/c1-31-21-14-8-5-11-17(21)22(23(31)16-9-3-2-4-10-16)20-15-32-24(30-20)29-19-13-7-6-12-18(19)25(26,27)28/h2-15H,1H3,(H,29,30)
InChIKeyGVJQPVOVAZHAMQ-UHFFFAOYSA-N
MW449.50 g/mol
LogP7.73
Rot. Bonds4

About 4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 2121058) has the molecular formula C25H18F3N3S and a molecular weight of 449.50 g/mol. Its IUPAC name is 4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID2121058
Molecular FormulaC25H18F3N3S
Molecular Weight449.50 g/mol
Exact Mass449.12
IUPAC Name4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCn1c(-c2ccccc2)c(-c2csc(Nc3ccccc3C(F)(F)F)n2)c2ccccc21
InChIInChI=1S/C25H18F3N3S/c1-31-21-14-8-5-11-17(21)22(23(31)16-9-3-2-4-10-16)20-15-32-24(30-20)29-19-13-7-6-12-18(19)25(26,27)28/h2-15H,1H3,(H,29,30)
InChIKeyGVJQPVOVAZHAMQ-UHFFFAOYSA-N
XLogP7.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.50
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 8902468
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CID 912884
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CID 21866577
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CID 804960
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CID 3934902
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CID 8900390
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CID 12006221
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CID 24817246
CID 24817246

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 2121058) is 4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Cn1c(-c2ccccc2)c(-c2csc(Nc3ccccc3C(F)(F)F)n2)c2ccccc21.
What is the InChIKey of 4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is GVJQPVOVAZHAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3S/c1-31-21-14-8-5-11-17(21)22(23(31)16-9-3-2-4-10-16)20-15-32-24(30-20)29-19-13-7-6-12-18(19)25(26,27)28/h2-15H,1H3,(H,29,30).
What are the key properties of 4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 449.50 g/mol, XLogP of 7.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-phenylindol-3-yl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2121058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).