5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine

C25H24FN3OS — CID 56680096

IUPAC5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
SMILESCOc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)nc2)ccc1-c1sc(C)nc1C
InChIInChI=1S/C25H24FN3OS/c1-15(18-5-9-21(26)10-6-18)29-24-12-8-20(14-27-24)19-7-11-22(23(13-19)30-4)25-16(2)28-17(3)31-25/h5-15H,1-4H3,(H,27,29)/t15-/m0/s1
InChIKeyQVRIPQOOVMQPMR-HNNXBMFYSA-N
MW433.55 g/mol
LogP6.81
Rot. Bonds6

About 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine

5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine (PubChem CID 56680096) has the molecular formula C25H24FN3OS and a molecular weight of 433.55 g/mol. Its IUPAC name is 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
PubChem CID56680096
Molecular FormulaC25H24FN3OS
Molecular Weight433.55 g/mol
Exact Mass433.16
IUPAC Name5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
SMILESCOc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)nc2)ccc1-c1sc(C)nc1C
InChIInChI=1S/C25H24FN3OS/c1-15(18-5-9-21(26)10-6-18)29-24-12-8-20(14-27-24)19-7-11-22(23(13-19)30-4)25-16(2)28-17(3)31-25/h5-15H,1-4H3,(H,27,29)/t15-/m0/s1
InChIKeyQVRIPQOOVMQPMR-HNNXBMFYSA-N
XLogP6.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 786894
1-[(1r)-1-(3-Methoxyphenyl)ethyl]-3-(4-Pyridin-4-Yl-1,3-Thiazol-2-Yl)urea
CID 56603818
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyridin-2-amine
CID 1092442
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-(3-methyl-pyridin-2-yl)-amine
CID 972796
4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-2-thiazolamine
CID 973120
[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 2877445
3-(benzyloxy)-5-(benzylthio)-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16660174
N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 16744595
N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 16744597
N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 16744599
2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 24829572

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine (CID 56680096) is 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine is COc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)nc2)ccc1-c1sc(C)nc1C.
What is the InChIKey of 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is QVRIPQOOVMQPMR-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H24FN3OS/c1-15(18-5-9-21(26)10-6-18)29-24-12-8-20(14-27-24)19-7-11-22(23(13-19)30-4)25-16(2)28-17(3)31-25/h5-15H,1-4H3,(H,27,29)/t15-/m0/s1.
What are the key properties of 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 433.55 g/mol, XLogP of 6.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methoxyphenyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 56680096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).