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

C13H17N3OS — CID 106036185

IUPAC5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine
SMILESCOc1cc(N)cc(NCCc2csc(C)n2)c1
InChIInChI=1S/C13H17N3OS/c1-9-16-11(8-18-9)3-4-15-12-5-10(14)6-13(7-12)17-2/h5-8,15H,3-4,14H2,1-2H3
InChIKeyCDDPLUIDKQCUHB-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.70
Rot. Bonds5

About 5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine

5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine (PubChem CID 106036185) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine
PubChem CID106036185
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine
SMILESCOc1cc(N)cc(NCCc2csc(C)n2)c1
InChIInChI=1S/C13H17N3OS/c1-9-16-11(8-18-9)3-4-15-12-5-10(14)6-13(7-12)17-2/h5-8,15H,3-4,14H2,1-2H3
InChIKeyCDDPLUIDKQCUHB-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

2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 114139225
4-fluoro-5-methoxy-1-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 106035876
5-methoxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 106052573
6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine
CID 113253638
2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 112500676
1-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 106036005
5-methoxy-3-N-(1,3-thiazol-4-ylmethyl)benzene-1,3-diamine
CID 80735351
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045046
5-amino-2-fluoro-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034088
5-amino-2,3-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034183
2-(3-amino-5-methoxyanilino)ethanesulfonamide
CID 80730733
5-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 114139204

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine?
The IUPAC name of 5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine (CID 106036185) is 5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine.
What is the SMILES notation for 5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine?
The canonical SMILES for 5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine is COc1cc(N)cc(NCCc2csc(C)n2)c1.
What is the InChIKey of 5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine?
The InChIKey is CDDPLUIDKQCUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-16-11(8-18-9)3-4-15-12-5-10(14)6-13(7-12)17-2/h5-8,15H,3-4,14H2,1-2H3.
What are the key properties of 5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine?
5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-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 5-methoxy-3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine is sourced from PubChem (CID 106036185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).