4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine

C13H14F2N2S — CID 115525260

IUPAC4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine
SMILESCC(C)c1nc(-c2ccc(C(F)F)cc2)c(N)s1
InChIInChI=1S/C13H14F2N2S/c1-7(2)13-17-10(12(16)18-13)8-3-5-9(6-4-8)11(14)15/h3-7,11H,16H2,1-2H3
InChIKeyYLAZYVNSQUIGHA-UHFFFAOYSA-N
MW268.33 g/mol
LogP4.45
Rot. Bonds3

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

4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine (PubChem CID 115525260) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine
PubChem CID115525260
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine
SMILESCC(C)c1nc(-c2ccc(C(F)F)cc2)c(N)s1
InChIInChI=1S/C13H14F2N2S/c1-7(2)13-17-10(12(16)18-13)8-3-5-9(6-4-8)11(14)15/h3-7,11H,16H2,1-2H3
InChIKeyYLAZYVNSQUIGHA-UHFFFAOYSA-N
XLogP4.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-amine
CID 115525261
5-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510998
5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine
CID 115525227
4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine
CID 62075682
4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine
CID 113328558
2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine
CID 63968062
4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine
CID 115528326
3-[4-(difluoromethyl)phenyl]pyrazin-2-amine
CID 112559175
4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 13015383
2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82069461
N-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
CID 82342293
2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine
CID 84808579

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine?
The IUPAC name of 4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine (CID 115525260) is 4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine?
The canonical SMILES for 4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine is CC(C)c1nc(-c2ccc(C(F)F)cc2)c(N)s1.
What is the InChIKey of 4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine?
The InChIKey is YLAZYVNSQUIGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-7(2)13-17-10(12(16)18-13)8-3-5-9(6-4-8)11(14)15/h3-7,11H,16H2,1-2H3.
What are the key properties of 4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine?
4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine has a molecular weight of 268.33 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine is sourced from PubChem (CID 115525260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).