1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol

C14H19N3OS — CID 63843470

IUPAC1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
SMILESCc1ncsc1CN(C)CC(O)c1ccc(N)cc1
InChIInChI=1S/C14H19N3OS/c1-10-14(19-9-16-10)8-17(2)7-13(18)11-3-5-12(15)6-4-11/h3-6,9,13,18H,7-8,15H2,1-2H3
InChIKeyYIKOPYUIYGHZLS-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.20
Rot. Bonds5

About 1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol

1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol (PubChem CID 63843470) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
PubChem CID63843470
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
SMILESCc1ncsc1CN(C)CC(O)c1ccc(N)cc1
InChIInChI=1S/C14H19N3OS/c1-10-14(19-9-16-10)8-17(2)7-13(18)11-3-5-12(15)6-4-11/h3-6,9,13,18H,7-8,15H2,1-2H3
InChIKeyYIKOPYUIYGHZLS-UHFFFAOYSA-N
XLogP2.20
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-ol
CID 63836338
4-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]aniline
CID 63843467
4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline
CID 115342144
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287870
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol
CID 63947273
1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine
CID 63838007
2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol
CID 75496967
1-N,2-dimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]heptane-1,6-diamine
CID 65296200
2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 80555225
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanethioamide
CID 63838147
1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol
CID 62264881

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol (CID 63843470) is 1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol is Cc1ncsc1CN(C)CC(O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol?
The InChIKey is YIKOPYUIYGHZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-14(19-9-16-10)8-17(2)7-13(18)11-3-5-12(15)6-4-11/h3-6,9,13,18H,7-8,15H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol?
1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol has a molecular weight of 277.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 63843470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).