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

C14H17ClN2OS — CID 110891359

IUPAC2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1csc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN2OS/c1-17(6-7-18)9-13-10-19-14(16-13)8-11-2-4-12(15)5-3-11/h2-5,10,18H,6-9H2,1H3
InChIKeyKVURLTAJYOOJCS-UHFFFAOYSA-N
MW296.82 g/mol
LogP2.81
Rot. Bonds6

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

2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl-methylamino]ethanol (PubChem CID 110891359) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl-methylamino]ethanol
PubChem CID110891359
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1csc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN2OS/c1-17(6-7-18)9-13-10-19-14(16-13)8-11-2-4-12(15)5-3-11/h2-5,10,18H,6-9H2,1H3
InChIKeyKVURLTAJYOOJCS-UHFFFAOYSA-N
XLogP2.81
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methylpentan-1-amine
CID 91633877
N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62412531
2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 94268207
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-methylacetamide
CID 78826678
2-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-1,3-thiazole
CID 167769634
N-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]oxirane-2-carboxamide
CID 154879924
[2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
CID 78880755
2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
CID 79673929
2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386882
2-[[4-[[ethyl(2-hydroxyethyl)amino]methyl]phenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 94722889
2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 39538100
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol
CID 110880723

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl-methylamino]ethanol (CID 110891359) is 2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl-methylamino]ethanol is CN(CCO)Cc1csc(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl-methylamino]ethanol?
The InChIKey is KVURLTAJYOOJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-17(6-7-18)9-13-10-19-14(16-13)8-11-2-4-12(15)5-3-11/h2-5,10,18H,6-9H2,1H3.
What are the key properties of 2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl-methylamino]ethanol?
2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl-methylamino]ethanol has a molecular weight of 296.82 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 110891359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).