2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine

C13H17N3OS — CID 114139225

IUPAC2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
SMILESCOc1cc(NCCc2csc(C)n2)ccc1N
InChIInChI=1S/C13H17N3OS/c1-9-16-11(8-18-9)5-6-15-10-3-4-12(14)13(7-10)17-2/h3-4,7-8,15H,5-6,14H2,1-2H3
InChIKeyNECRKWKJNAXZBA-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.70
Rot. Bonds5

About 2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine

2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine (PubChem CID 114139225) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
PubChem CID114139225
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
SMILESCOc1cc(NCCc2csc(C)n2)ccc1N
InChIInChI=1S/C13H17N3OS/c1-9-16-11(8-18-9)5-6-15-10-3-4-12(14)13(7-10)17-2/h3-4,7-8,15H,5-6,14H2,1-2H3
InChIKeyNECRKWKJNAXZBA-UHFFFAOYSA-N
XLogP2.70
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.70
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

4-fluoro-5-methoxy-1-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 106035876
5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine
CID 106036185
4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002592
2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 114140022
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 114139058
4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 61281277
5-methoxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 106052573
N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332807
2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 63829691
3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 106036110
6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine
CID 113253638
4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine
CID 106041619

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine (CID 114139225) is 2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine is COc1cc(NCCc2csc(C)n2)ccc1N.
What is the InChIKey of 2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine?
The InChIKey is NECRKWKJNAXZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-16-11(8-18-9)5-6-15-10-3-4-12(14)13(7-10)17-2/h3-4,7-8,15H,5-6,14H2,1-2H3.
What are the key properties of 2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine?
2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 114139225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).