1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol

C13H14Cl2N2OS — CID 61281619

IUPAC1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
SMILESCc1ncc(CNCC(O)c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C13H14Cl2N2OS/c1-8-17-6-10(19-8)5-16-7-13(18)11-4-9(14)2-3-12(11)15/h2-4,6,13,16,18H,5,7H2,1H3
InChIKeyYRRRJSHNFLABGQ-UHFFFAOYSA-N
MW317.24 g/mol
LogP3.58
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol

1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol (PubChem CID 61281619) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
PubChem CID61281619
Molecular FormulaC13H14Cl2N2OS
Molecular Weight317.24 g/mol
Exact Mass316.02
IUPAC Name1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
SMILESCc1ncc(CNCC(O)c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C13H14Cl2N2OS/c1-8-17-6-10(19-8)5-16-7-13(18)11-4-9(14)2-3-12(11)15/h2-4,6,13,16,18H,5,7H2,1H3
InChIKeyYRRRJSHNFLABGQ-UHFFFAOYSA-N
XLogP3.58
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855023
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 93367091
2-(benzylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60896669
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 61280625
1-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol
CID 60899526
1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol
CID 60900214
1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol
CID 54935215
5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 61225336
5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941064
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 79420261

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol (CID 61281619) is 1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol is Cc1ncc(CNCC(O)c2cc(Cl)ccc2Cl)s1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol?
The InChIKey is YRRRJSHNFLABGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2OS/c1-8-17-6-10(19-8)5-16-7-13(18)11-4-9(14)2-3-12(11)15/h2-4,6,13,16,18H,5,7H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol?
1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol has a molecular weight of 317.24 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol is sourced from PubChem (CID 61281619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).