4-(1-adamantyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C20H21F3N2S — CID 155924881

IUPAC4-(1-adamantyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccccc1Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C20H21F3N2S/c21-20(22,23)15-3-1-2-4-16(15)24-18-25-17(11-26-18)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,24,25)
InChIKeyNZIDGTBELFUKFI-UHFFFAOYSA-N
MW378.46 g/mol
LogP6.37
Rot. Bonds3

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

4-(1-adamantyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 155924881) has the molecular formula C20H21F3N2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-(1-adamantyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-adamantyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID155924881
Molecular FormulaC20H21F3N2S
Molecular Weight378.46 g/mol
Exact Mass378.14
IUPAC Name4-(1-adamantyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccccc1Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C20H21F3N2S/c21-20(22,23)15-3-1-2-4-16(15)24-18-25-17(11-26-18)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,24,25)
InChIKeyNZIDGTBELFUKFI-UHFFFAOYSA-N
XLogP6.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.46
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-adamantyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 155924881) is 4-(1-adamantyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-adamantyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-adamantyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)c1ccccc1Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of 4-(1-adamantyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is NZIDGTBELFUKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2S/c21-20(22,23)15-3-1-2-4-16(15)24-18-25-17(11-26-18)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,24,25).
What are the key properties of 4-(1-adamantyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-(1-adamantyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 378.46 g/mol, XLogP of 6.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155924881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).