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

C16H12F2N2S — CID 115528326

IUPAC4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine
SMILESNc1sc(-c2ccccc2)nc1-c1cccc(C(F)F)c1
InChIInChI=1S/C16H12F2N2S/c17-14(18)12-8-4-7-11(9-12)13-15(19)21-16(20-13)10-5-2-1-3-6-10/h1-9,14H,19H2
InChIKeyKTSCLKBLOVOZAL-UHFFFAOYSA-N
MW302.35 g/mol
LogP5.00
Rot. Bonds3

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

4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine (PubChem CID 115528326) has the molecular formula C16H12F2N2S and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine
PubChem CID115528326
Molecular FormulaC16H12F2N2S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine
SMILESNc1sc(-c2ccccc2)nc1-c1cccc(C(F)F)c1
InChIInChI=1S/C16H12F2N2S/c17-14(18)12-8-4-7-11(9-12)13-15(19)21-16(20-13)10-5-2-1-3-6-10/h1-9,14H,19H2
InChIKeyKTSCLKBLOVOZAL-UHFFFAOYSA-N
XLogP5.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine
CID 55034297
4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine
CID 63469685
4-(4-fluorophenyl)-2-phenyl-1,3-thiazol-5-amine
CID 25008167
2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine
CID 63469518
2-(3-methoxyphenyl)-4-phenyl-1,3-thiazol-5-amine
CID 71085692
4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine
CID 62076324
4-(2-chlorophenyl)-2-phenyl-1,3-thiazol-5-amine
CID 62076151
[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 115528203
5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine
CID 115528257
2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine
CID 115527383
4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine
CID 115525260
2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine
CID 115528420

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine?
The IUPAC name of 4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine (CID 115528326) is 4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine is Nc1sc(-c2ccccc2)nc1-c1cccc(C(F)F)c1.
What is the InChIKey of 4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine?
The InChIKey is KTSCLKBLOVOZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2S/c17-14(18)12-8-4-7-11(9-12)13-15(19)21-16(20-13)10-5-2-1-3-6-10/h1-9,14H,19H2.
What are the key properties of 4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine?
4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine has a molecular weight of 302.35 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)phenyl]-2-phenyl-1,3-thiazol-5-amine is sourced from PubChem (CID 115528326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).