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

C15H19ClN2OS — CID 111614469

IUPAC1-(2-chlorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol
SMILESCCc1cnc(CN(C)CC(O)c2ccccc2Cl)s1
InChIInChI=1S/C15H19ClN2OS/c1-3-11-8-17-15(20-11)10-18(2)9-14(19)12-6-4-5-7-13(12)16/h4-8,14,19H,3,9-10H2,1-2H3
InChIKeyPDVVNMXWRKBUAO-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.52
Rot. Bonds6

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

1-(2-chlorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol (PubChem CID 111614469) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol
PubChem CID111614469
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name1-(2-chlorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol
SMILESCCc1cnc(CN(C)CC(O)c2ccccc2Cl)s1
InChIInChI=1S/C15H19ClN2OS/c1-3-11-8-17-15(20-11)10-18(2)9-14(19)12-6-4-5-7-13(12)16/h4-8,14,19H,3,9-10H2,1-2H3
InChIKeyPDVVNMXWRKBUAO-UHFFFAOYSA-N
XLogP3.52
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol
CID 111614486
2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858860
1-(2-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 54883561
1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103787028
1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 111565238
1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol
CID 62628760
3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982924
1-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091470
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 119954141
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119896831
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 84593989
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride
CID 120597348

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol (CID 111614469) is 1-(2-chlorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol is CCc1cnc(CN(C)CC(O)c2ccccc2Cl)s1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol?
The InChIKey is PDVVNMXWRKBUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-3-11-8-17-15(20-11)10-18(2)9-14(19)12-6-4-5-7-13(12)16/h4-8,14,19H,3,9-10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol?
1-(2-chlorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol has a molecular weight of 310.85 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol is sourced from PubChem (CID 111614469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).