2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol

C14H16Cl2N2OS — CID 61192165

IUPAC2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol
SMILESCc1nc(C)c(C(C)NCc2cc(Cl)cc(Cl)c2O)s1
InChIInChI=1S/C14H16Cl2N2OS/c1-7(14-8(2)18-9(3)20-14)17-6-10-4-11(15)5-12(16)13(10)19/h4-5,7,17,19H,6H2,1-3H3
InChIKeyMODVXAUFTYWDMH-UHFFFAOYSA-N
MW331.27 g/mol
LogP4.62
Rot. Bonds4

About 2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol

2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol (PubChem CID 61192165) has the molecular formula C14H16Cl2N2OS and a molecular weight of 331.27 g/mol. Its IUPAC name is 2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol
PubChem CID61192165
Molecular FormulaC14H16Cl2N2OS
Molecular Weight331.27 g/mol
Exact Mass330.04
IUPAC Name2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol
SMILESCc1nc(C)c(C(C)NCc2cc(Cl)cc(Cl)c2O)s1
InChIInChI=1S/C14H16Cl2N2OS/c1-7(14-8(2)18-9(3)20-14)17-6-10-4-11(15)5-12(16)13(10)19/h4-5,7,17,19H,6H2,1-3H3
InChIKeyMODVXAUFTYWDMH-UHFFFAOYSA-N
XLogP4.62
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 65315816
2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63750614
3-chloro-4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]benzonitrile
CID 102664197
2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202255
N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 78968443
N-[(2-chloro-3-fluorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 112651900
2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367252
2-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-4,6-dichlorophenol
CID 81359211
N-[(2-bromophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61059932
2,4-dichloro-6-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol
CID 103854969
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61060387
2-[(but-3-en-2-ylamino)methyl]-4,6-dichlorophenol
CID 115691167

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol (CID 61192165) is 2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol is Cc1nc(C)c(C(C)NCc2cc(Cl)cc(Cl)c2O)s1.
What is the InChIKey of 2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol?
The InChIKey is MODVXAUFTYWDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2OS/c1-7(14-8(2)18-9(3)20-14)17-6-10-4-11(15)5-12(16)13(10)19/h4-5,7,17,19H,6H2,1-3H3.
What are the key properties of 2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol?
2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol has a molecular weight of 331.27 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 61192165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).