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

C18H16F2N2OS — CID 58955384

IUPAC4-[(1S)-2-(3,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc([C@H](Cc2ccc(F)c(F)c2)c2csc(N)n2)cc1
InChIInChI=1S/C18H16F2N2OS/c1-23-13-5-3-12(4-6-13)14(17-10-24-18(21)22-17)8-11-2-7-15(19)16(20)9-11/h2-7,9-10,14H,8H2,1H3,(H2,21,22)/t14-/m0/s1
InChIKeyCDHAIGZPGFULAE-AWEZNQCLSA-N
MW346.40 g/mol
LogP4.39
Rot. Bonds5

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

4-[(1S)-2-(3,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 58955384) has the molecular formula C18H16F2N2OS and a molecular weight of 346.40 g/mol. Its IUPAC name is 4-[(1S)-2-(3,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1S)-2-(3,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID58955384
Molecular FormulaC18H16F2N2OS
Molecular Weight346.40 g/mol
Exact Mass346.10
IUPAC Name4-[(1S)-2-(3,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc([C@H](Cc2ccc(F)c(F)c2)c2csc(N)n2)cc1
InChIInChI=1S/C18H16F2N2OS/c1-23-13-5-3-12(4-6-13)14(17-10-24-18(21)22-17)8-11-2-7-15(19)16(20)9-11/h2-7,9-10,14H,8H2,1H3,(H2,21,22)/t14-/m0/s1
InChIKeyCDHAIGZPGFULAE-AWEZNQCLSA-N
XLogP4.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2-(3,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1S)-2-(3,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine (CID 58955384) is 4-[(1S)-2-(3,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1S)-2-(3,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1S)-2-(3,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine is COc1ccc([C@H](Cc2ccc(F)c(F)c2)c2csc(N)n2)cc1.
What is the InChIKey of 4-[(1S)-2-(3,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is CDHAIGZPGFULAE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16F2N2OS/c1-23-13-5-3-12(4-6-13)14(17-10-24-18(21)22-17)8-11-2-7-15(19)16(20)9-11/h2-7,9-10,14H,8H2,1H3,(H2,21,22)/t14-/m0/s1.
What are the key properties of 4-[(1S)-2-(3,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
4-[(1S)-2-(3,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 346.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2-(3,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58955384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).