N-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C19H20F2N2S — CID 59223267

IUPACN-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(CC(NC2=NCCS2)c2cc(F)ccc2F)c1
InChIInChI=1S/C19H20F2N2S/c1-12-7-13(2)9-14(8-12)10-18(23-19-22-5-6-24-19)16-11-15(20)3-4-17(16)21/h3-4,7-9,11,18H,5-6,10H2,1-2H3,(H,22,23)
InChIKeyHTIFNGIWYXFMPZ-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.56
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 59223267) has the molecular formula C19H20F2N2S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID59223267
Molecular FormulaC19H20F2N2S
Molecular Weight346.45 g/mol
Exact Mass346.13
IUPAC NameN-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(CC(NC2=NCCS2)c2cc(F)ccc2F)c1
InChIInChI=1S/C19H20F2N2S/c1-12-7-13(2)9-14(8-12)10-18(23-19-22-5-6-24-19)16-11-15(20)3-4-17(16)21/h3-4,7-9,11,18H,5-6,10H2,1-2H3,(H,22,23)
InChIKeyHTIFNGIWYXFMPZ-UHFFFAOYSA-N
XLogP4.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4s,6r)-4-[2,4-Difluoro-5-({[1-(Trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-Dimethyl-5,6-Dihydro-4h-1,3-Thiazin-2-Amine
CID 123132915
(4s)-4-[2,4-Difluoro-5-({[1-(Trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-Methyl-5,6-Dihydro-4h-1,3-Thiazin-2-Amine
CID 123132907
N-(4-fluorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2997276
5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2997387
(4R,5S)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 45273183
N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3856622
(4S)-4-[5-[(2,2-difluoroethylamino)methyl]-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137633017
(4S)-4-[5-[[[1-(difluoromethyl)cyclopropyl]amino]methyl]-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137634377
(4S)-4-[2,4-difluoro-5-[[[(2R)-1,1,1-trifluoropropan-2-yl]amino]methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137635011
(4S)-4-[5-[(cyclopropylmethylamino)methyl]-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137637375
(4S)-4-[5-(ethylaminomethyl)-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137637780
(4S)-4-[5-[(cyclopropylamino)methyl]-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137641491

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 59223267) is N-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(C)cc(CC(NC2=NCCS2)c2cc(F)ccc2F)c1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HTIFNGIWYXFMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2S/c1-12-7-13(2)9-14(8-12)10-18(23-19-22-5-6-24-19)16-11-15(20)3-4-17(16)21/h3-4,7-9,11,18H,5-6,10H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 346.45 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 59223267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).