1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol

C12H13ClN2OS — CID 111463156

IUPAC1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol
SMILESOC(CNCc1ccncc1)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2OS/c13-12-2-1-11(17-12)10(16)8-15-7-9-3-5-14-6-4-9/h1-6,10,15-16H,7-8H2
InChIKeyZDPKWZGDGQYKTK-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.62
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol

1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol (PubChem CID 111463156) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol
PubChem CID111463156
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol
SMILESOC(CNCc1ccncc1)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2OS/c13-12-2-1-11(17-12)10(16)8-15-7-9-3-5-14-6-4-9/h1-6,10,15-16H,7-8H2
InChIKeyZDPKWZGDGQYKTK-UHFFFAOYSA-N
XLogP2.62
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-[(1-phenylpyrazol-4-yl)methylamino]ethanol
CID 111469606
1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol
CID 111469547
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
1-(5-chlorothiophen-2-yl)-2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]ethanol
CID 111469636
1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111114875
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925
1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol
CID 111469610
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol
CID 111469551
2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol
CID 111469544
2-(tert-butylamino)-1-(5-chlorothiophen-2-yl)ethanol
CID 3039980
(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
CID 83001660
2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60899811

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol (CID 111463156) is 1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol is OC(CNCc1ccncc1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol?
The InChIKey is ZDPKWZGDGQYKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c13-12-2-1-11(17-12)10(16)8-15-7-9-3-5-14-6-4-9/h1-6,10,15-16H,7-8H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol?
1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol has a molecular weight of 268.77 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol is sourced from PubChem (CID 111463156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).