2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine

C14H16F2N2S — CID 115525261

IUPAC2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine
SMILESCC(C)(C)c1nc(-c2ccc(C(F)F)cc2)c(N)s1
InChIInChI=1S/C14H16F2N2S/c1-14(2,3)13-18-10(12(17)19-13)8-4-6-9(7-5-8)11(15)16/h4-7,11H,17H2,1-3H3
InChIKeyXDNKQRHSZUPMAV-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.63
Rot. Bonds2

About 2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine

2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine (PubChem CID 115525261) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine
PubChem CID115525261
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine
SMILESCC(C)(C)c1nc(-c2ccc(C(F)F)cc2)c(N)s1
InChIInChI=1S/C14H16F2N2S/c1-14(2,3)13-18-10(12(17)19-13)8-4-6-9(7-5-8)11(15)16/h4-7,11H,17H2,1-3H3
InChIKeyXDNKQRHSZUPMAV-UHFFFAOYSA-N
XLogP4.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine
CID 62076851
4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine
CID 115525260
2,4-ditert-butyl-1,3-thiazol-5-amine
CID 62077197
4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine
CID 113328558
4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine
CID 115528326
3-[4-(difluoromethyl)phenyl]pyrazin-2-amine
CID 112559175
2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole
CID 55645362
2-[4-(difluoromethyl)phenyl]propan-2-amine
CID 117280197
5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine
CID 115525227
2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine
CID 84808579
2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane
CID 170587640
2-methyl-4-(4-phenylphenyl)-1,3-thiazol-5-amine
CID 62082548

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine?
The IUPAC name of 2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine (CID 115525261) is 2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine.
What is the SMILES notation for 2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine?
The canonical SMILES for 2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine is CC(C)(C)c1nc(-c2ccc(C(F)F)cc2)c(N)s1.
What is the InChIKey of 2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine?
The InChIKey is XDNKQRHSZUPMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-14(2,3)13-18-10(12(17)19-13)8-4-6-9(7-5-8)11(15)16/h4-7,11H,17H2,1-3H3.
What are the key properties of 2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine?
2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine has a molecular weight of 282.36 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine is sourced from PubChem (CID 115525261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).