4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine

C16H20F2N2S — CID 143103874

IUPAC4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCC(C)CCNc1nc(-c2ccc(C(C)(F)F)cc2)cs1
InChIInChI=1S/C16H20F2N2S/c1-11(2)8-9-19-15-20-14(10-21-15)12-4-6-13(7-5-12)16(3,17)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)
InChIKeyWXOCIQILXPXQPF-UHFFFAOYSA-N
MW310.41 g/mol
LogP5.38
Rot. Bonds6

About 4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine

4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 143103874) has the molecular formula C16H20F2N2S and a molecular weight of 310.41 g/mol. Its IUPAC name is 4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine
PubChem CID143103874
Molecular FormulaC16H20F2N2S
Molecular Weight310.41 g/mol
Exact Mass310.13
IUPAC Name4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCC(C)CCNc1nc(-c2ccc(C(C)(F)F)cc2)cs1
InChIInChI=1S/C16H20F2N2S/c1-11(2)8-9-19-15-20-14(10-21-15)12-4-6-13(7-5-12)16(3,17)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)
InChIKeyWXOCIQILXPXQPF-UHFFFAOYSA-N
XLogP5.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.41
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 4232837
N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 23143279
N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 60642186
4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 83153720
N-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 55027194
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962689
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 3254844
N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750316
3,3-dimethyl-2-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]butanal
CID 174721637
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine (CID 143103874) is 4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine is CC(C)CCNc1nc(-c2ccc(C(C)(F)F)cc2)cs1.
What is the InChIKey of 4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is WXOCIQILXPXQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2S/c1-11(2)8-9-19-15-20-14(10-21-15)12-4-6-13(7-5-12)16(3,17)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine?
4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 310.41 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 143103874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).