4-[(1S)-2-[4-(2,6-difluorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine

C24H20F2N2OS — CID 58955481

IUPAC4-[(1S)-2-[4-(2,6-difluorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc([C@H](Cc2ccc(-c3c(F)cccc3F)cc2)c2csc(N)n2)cc1
InChIInChI=1S/C24H20F2N2OS/c1-29-18-11-9-16(10-12-18)19(22-14-30-24(27)28-22)13-15-5-7-17(8-6-15)23-20(25)3-2-4-21(23)26/h2-12,14,19H,13H2,1H3,(H2,27,28)/t19-/m0/s1
InChIKeyBFBCSCHTARTNAU-IBGZPJMESA-N
MW422.50 g/mol
LogP6.05
Rot. Bonds6

About 4-[(1S)-2-[4-(2,6-difluorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine

4-[(1S)-2-[4-(2,6-difluorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 58955481) has the molecular formula C24H20F2N2OS and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-[(1S)-2-[4-(2,6-difluorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1S)-2-[4-(2,6-difluorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID58955481
Molecular FormulaC24H20F2N2OS
Molecular Weight422.50 g/mol
Exact Mass422.13
IUPAC Name4-[(1S)-2-[4-(2,6-difluorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc([C@H](Cc2ccc(-c3c(F)cccc3F)cc2)c2csc(N)n2)cc1
InChIInChI=1S/C24H20F2N2OS/c1-29-18-11-9-16(10-12-18)19(22-14-30-24(27)28-22)13-15-5-7-17(8-6-15)23-20(25)3-2-4-21(23)26/h2-12,14,19H,13H2,1H3,(H2,27,28)/t19-/m0/s1
InChIKeyBFBCSCHTARTNAU-IBGZPJMESA-N
XLogP6.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.50
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2-[4-(2,6-difluorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1S)-2-[4-(2,6-difluorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine (CID 58955481) is 4-[(1S)-2-[4-(2,6-difluorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1S)-2-[4-(2,6-difluorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1S)-2-[4-(2,6-difluorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine is COc1ccc([C@H](Cc2ccc(-c3c(F)cccc3F)cc2)c2csc(N)n2)cc1.
What is the InChIKey of 4-[(1S)-2-[4-(2,6-difluorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is BFBCSCHTARTNAU-IBGZPJMESA-N. The full InChI is InChI=1S/C24H20F2N2OS/c1-29-18-11-9-16(10-12-18)19(22-14-30-24(27)28-22)13-15-5-7-17(8-6-15)23-20(25)3-2-4-21(23)26/h2-12,14,19H,13H2,1H3,(H2,27,28)/t19-/m0/s1.
What are the key properties of 4-[(1S)-2-[4-(2,6-difluorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
4-[(1S)-2-[4-(2,6-difluorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 422.50 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2-[4-(2,6-difluorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58955481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).