1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol

C13H14Cl2N2OS — CID 111424572

IUPAC1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
SMILESCc1csc(CNCC(O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H14Cl2N2OS/c1-8-7-19-13(17-8)6-16-5-12(18)10-3-2-9(14)4-11(10)15/h2-4,7,12,16,18H,5-6H2,1H3
InChIKeyRWHCKIAJAGCNBG-UHFFFAOYSA-N
MW317.24 g/mol
LogP3.58
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol

1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol (PubChem CID 111424572) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
PubChem CID111424572
Molecular FormulaC13H14Cl2N2OS
Molecular Weight317.24 g/mol
Exact Mass316.02
IUPAC Name1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
SMILESCc1csc(CNCC(O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H14Cl2N2OS/c1-8-7-19-13(17-8)6-16-5-12(18)10-3-2-9(14)4-11(10)15/h2-4,7,12,16,18H,5-6H2,1H3
InChIKeyRWHCKIAJAGCNBG-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

1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043126
1-(2,4-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82066949
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111114875
1-(4-chloro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104853912
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 61044455
1-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60759989
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 61044334
1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 82313283
3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol
CID 82313271
1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111114881
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 78992597

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol (CID 111424572) is 1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol is Cc1csc(CNCC(O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol?
The InChIKey is RWHCKIAJAGCNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2OS/c1-8-7-19-13(17-8)6-16-5-12(18)10-3-2-9(14)4-11(10)15/h2-4,7,12,16,18H,5-6H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol?
1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-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-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol is sourced from PubChem (CID 111424572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).