1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol

C17H16ClN3OS — CID 111974591

IUPAC1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol
SMILESOC(CNCc1cnc(-c2ccccn2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3OS/c18-13-6-4-12(5-7-13)16(22)11-19-9-14-10-21-17(23-14)15-3-1-2-8-20-15/h1-8,10,16,19,22H,9,11H2
InChIKeyUYXKVRRWQFLGDM-UHFFFAOYSA-N
MW345.86 g/mol
LogP3.68
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol

1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol (PubChem CID 111974591) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol
PubChem CID111974591
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol
SMILESOC(CNCc1cnc(-c2ccccn2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3OS/c18-13-6-4-12(5-7-13)16(22)11-19-9-14-10-21-17(23-14)15-3-1-2-8-20-15/h1-8,10,16,19,22H,9,11H2
InChIKeyUYXKVRRWQFLGDM-UHFFFAOYSA-N
XLogP3.68
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
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CID 111974588
(2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 97021393
1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
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1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one
CID 115091334
1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol
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(1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol
CID 94181797
1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 61281619
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900
2-(methylamino)-1-(4-pyridin-2-ylphenyl)ethanol
CID 70986853
(1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol
CID 100714202
N-[(4-chlorophenyl)methyl]-2-[[[(2R)-2-hydroxy-2-pyridin-2-ylethyl]amino]methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 142869701

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol (CID 111974591) is 1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol is OC(CNCc1cnc(-c2ccccn2)s1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol?
The InChIKey is UYXKVRRWQFLGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c18-13-6-4-12(5-7-13)16(22)11-19-9-14-10-21-17(23-14)15-3-1-2-8-20-15/h1-8,10,16,19,22H,9,11H2.
What are the key properties of 1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol?
1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol has a molecular weight of 345.86 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol is sourced from PubChem (CID 111974591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).