4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C19H13F3N2S — CID 159049155

IUPAC4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nc(-c3ccc4c(c3)C=CC4)cs2)c1
InChIInChI=1S/C19H13F3N2S/c20-19(21,22)15-5-2-6-16(10-15)23-18-24-17(11-25-18)14-8-7-12-3-1-4-13(12)9-14/h1-2,4-11H,3H2,(H,23,24)
InChIKeyMXIUUDCPMJBULU-UHFFFAOYSA-N
MW358.39 g/mol
LogP6.14
Rot. Bonds3

About 4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 159049155) has the molecular formula C19H13F3N2S and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID159049155
Molecular FormulaC19H13F3N2S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nc(-c3ccc4c(c3)C=CC4)cs2)c1
InChIInChI=1S/C19H13F3N2S/c20-19(21,22)15-5-2-6-16(10-15)23-18-24-17(11-25-18)14-8-7-12-3-1-4-13(12)9-14/h1-2,4-11H,3H2,(H,23,24)
InChIKeyMXIUUDCPMJBULU-UHFFFAOYSA-N
XLogP6.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2249396
4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide
CID 44789502
4-[3-(dimethylamino)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 156517729
4-(1-oxidopyridin-1-ium-4-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 162457285
ethane;3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzoic acid
CID 156795689
1-oxido-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridin-1-ium-3-carboxamide
CID 156517790
N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2803721
carbanide;ethane;iron;4-(3-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 156795672
3-chloro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzonitrile
CID 156506524
4-(3-bromocyclohexa-2,4-dien-1-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 156795785
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 118708822
N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 18507812

Frequently Asked Questions

What is the IUPAC name of 4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 159049155) is 4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)c1cccc(Nc2nc(-c3ccc4c(c3)C=CC4)cs2)c1.
What is the InChIKey of 4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is MXIUUDCPMJBULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2S/c20-19(21,22)15-5-2-6-16(10-15)23-18-24-17(11-25-18)14-8-7-12-3-1-4-13(12)9-14/h1-2,4-11H,3H2,(H,23,24).
What are the key properties of 4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 358.39 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-inden-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 159049155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).