1-(2,4-difluorophenyl)-2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]ethanol

C17H20F2N2OS — CID 111916306

IUPAC1-(2,4-difluorophenyl)-2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]ethanol
SMILESCc1csc(C2(NCC(O)c3ccc(F)cc3F)CCCC2)n1
InChIInChI=1S/C17H20F2N2OS/c1-11-10-23-16(21-11)17(6-2-3-7-17)20-9-15(22)13-5-4-12(18)8-14(13)19/h4-5,8,10,15,20,22H,2-3,6-7,9H2,1H3
InChIKeyWOCCAHHTKIYZDH-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.82
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]ethanol

1-(2,4-difluorophenyl)-2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]ethanol (PubChem CID 111916306) has the molecular formula C17H20F2N2OS and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]ethanol
PubChem CID111916306
Molecular FormulaC17H20F2N2OS
Molecular Weight338.42 g/mol
Exact Mass338.13
IUPAC Name1-(2,4-difluorophenyl)-2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]ethanol
SMILESCc1csc(C2(NCC(O)c3ccc(F)cc3F)CCCC2)n1
InChIInChI=1S/C17H20F2N2OS/c1-11-10-23-16(21-11)17(6-2-3-7-17)20-9-15(22)13-5-4-12(18)8-14(13)19/h4-5,8,10,15,20,22H,2-3,6-7,9H2,1H3
InChIKeyWOCCAHHTKIYZDH-UHFFFAOYSA-N
XLogP3.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]ethanol (CID 111916306) is 1-(2,4-difluorophenyl)-2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]ethanol is Cc1csc(C2(NCC(O)c3ccc(F)cc3F)CCCC2)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]ethanol?
The InChIKey is WOCCAHHTKIYZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2OS/c1-11-10-23-16(21-11)17(6-2-3-7-17)20-9-15(22)13-5-4-12(18)8-14(13)19/h4-5,8,10,15,20,22H,2-3,6-7,9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]ethanol?
1-(2,4-difluorophenyl)-2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]ethanol has a molecular weight of 338.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]ethanol is sourced from PubChem (CID 111916306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).