N-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine

C16H12F2N2S — CID 741082

IUPACN-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESFc1ccc(Cc2cnc(Nc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C16H12F2N2S/c17-12-3-1-11(2-4-12)9-15-10-19-16(21-15)20-14-7-5-13(18)6-8-14/h1-8,10H,9H2,(H,19,20)
InChIKeyDECHQEYMFXTUNZ-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.76
Rot. Bonds4

About N-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine

N-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 741082) has the molecular formula C16H12F2N2S and a molecular weight of 302.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID741082
Molecular FormulaC16H12F2N2S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC NameN-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESFc1ccc(Cc2cnc(Nc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C16H12F2N2S/c17-12-3-1-11(2-4-12)9-15-10-19-16(21-15)20-14-7-5-13(18)6-8-14/h1-8,10H,9H2,(H,19,20)
InChIKeyDECHQEYMFXTUNZ-UHFFFAOYSA-N
XLogP4.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-Diphenyl-1,3-thiazol-2-amine
CID 619921
N-(1,3-Thiazol-2-yl)pyridin-2-amine 1
CID 5329323
5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329325
Aminothiazole 7
CID 5329389
Aminothiazole 8
CID 5329390
N-(3-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329391
N-(4-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329392
N-(5-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329393
N-(6-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329394
5-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 16068845
N-(4-fluorophenyl)-5-iodo-1,3-thiazol-2-amine
CID 16068846
5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 935229

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine (CID 741082) is N-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine is Fc1ccc(Cc2cnc(Nc3ccc(F)cc3)s2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is DECHQEYMFXTUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2S/c17-12-3-1-11(2-4-12)9-15-10-19-16(21-15)20-14-7-5-13(18)6-8-14/h1-8,10H,9H2,(H,19,20).
What are the key properties of N-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
N-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 302.35 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 741082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).