4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine

C18H16F2N2OS — CID 4969311

IUPAC4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine
SMILESCC(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccccc1
InChIInChI=1S/C18H16F2N2OS/c1-12(13-5-3-2-4-6-13)21-18-22-16(11-24-18)14-7-9-15(10-8-14)23-17(19)20/h2-12,17H,1H3,(H,21,22)
InChIKeyKOOCQGJXSOFTBV-UHFFFAOYSA-N
MW346.40 g/mol
LogP5.58
Rot. Bonds6

About 4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine

4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine (PubChem CID 4969311) has the molecular formula C18H16F2N2OS and a molecular weight of 346.40 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine
PubChem CID4969311
Molecular FormulaC18H16F2N2OS
Molecular Weight346.40 g/mol
Exact Mass346.10
IUPAC Name4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine
SMILESCC(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccccc1
InChIInChI=1S/C18H16F2N2OS/c1-12(13-5-3-2-4-6-13)21-18-22-16(11-24-18)14-7-9-15(10-8-14)23-17(19)20/h2-12,17H,1H3,(H,21,22)
InChIKeyKOOCQGJXSOFTBV-UHFFFAOYSA-N
XLogP5.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.40
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-phenylethyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2464196
N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 2560713
N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9343376
5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 42914895
4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine
CID 7529068
4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine
CID 2536248
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-(difluoromethoxy)benzoate
CID 42966355
N-[(2R)-4-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750342
N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine
CID 62351380
4-[4-(difluoromethoxy)phenyl]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-1,3-thiazol-2-amine
CID 135721587
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 19514167
N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 53443796

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine (CID 4969311) is 4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine is CC(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccccc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine?
The InChIKey is KOOCQGJXSOFTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2OS/c1-12(13-5-3-2-4-6-13)21-18-22-16(11-24-18)14-7-9-15(10-8-14)23-17(19)20/h2-12,17H,1H3,(H,21,22).
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine?
4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine has a molecular weight of 346.40 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4969311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).