4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine

C11H14N4S — CID 106750805

IUPAC4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
SMILESNc1ccc(NCCc2nccs2)cc1N
InChIInChI=1S/C11H14N4S/c12-9-2-1-8(7-10(9)13)14-4-3-11-15-5-6-16-11/h1-2,5-7,14H,3-4,12-13H2
InChIKeyRVKKJKUFKCBRLW-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.96
Rot. Bonds4

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

4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine (PubChem CID 106750805) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
PubChem CID106750805
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
SMILESNc1ccc(NCCc2nccs2)cc1N
InChIInChI=1S/C11H14N4S/c12-9-2-1-8(7-10(9)13)14-4-3-11-15-5-6-16-11/h1-2,5-7,14H,3-4,12-13H2
InChIKeyRVKKJKUFKCBRLW-UHFFFAOYSA-N
XLogP1.96
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 79466616
2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine
CID 55232166
3,4-difluoro-2-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 63242145
3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 94282162
2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
CID 61283842
4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 63242090
N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 82539157
1-N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 55218592
2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 82539161
methyl 4-amino-3-[2-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 82796444
3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine
CID 82539174
2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine
CID 55176380

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine?
The IUPAC name of 4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine (CID 106750805) is 4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine?
The canonical SMILES for 4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine is Nc1ccc(NCCc2nccs2)cc1N.
What is the InChIKey of 4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine?
The InChIKey is RVKKJKUFKCBRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c12-9-2-1-8(7-10(9)13)14-4-3-11-15-5-6-16-11/h1-2,5-7,14H,3-4,12-13H2.
What are the key properties of 4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine?
4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine has a molecular weight of 234.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine is sourced from PubChem (CID 106750805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).