4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine

C12H14ClN3S — CID 106037251

IUPAC4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine
SMILESNc1ccc(NCCc2ccc(Cl)s2)cc1N
InChIInChI=1S/C12H14ClN3S/c13-12-4-2-9(17-12)5-6-16-8-1-3-10(14)11(15)7-8/h1-4,7,16H,5-6,14-15H2
InChIKeyGYGJUCMTELJTTA-UHFFFAOYSA-N
MW267.79 g/mol
LogP3.22
Rot. Bonds4

About 4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine

4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine (PubChem CID 106037251) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine
PubChem CID106037251
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine
SMILESNc1ccc(NCCc2ccc(Cl)s2)cc1N
InChIInChI=1S/C12H14ClN3S/c13-12-4-2-9(17-12)5-6-16-8-1-3-10(14)11(15)7-8/h1-4,7,16H,5-6,14-15H2
InChIKeyGYGJUCMTELJTTA-UHFFFAOYSA-N
XLogP3.22
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzene-1,2-diamine
CID 114139337
5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 106034929
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-iodo-4-nitroaniline
CID 106038476
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine
CID 106036940
2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine
CID 114139324
4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 106048712
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 106037262
5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 114139636
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 103809483
5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide
CID 106034935
4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine
CID 106750235
3-[2-(5-chlorothiophen-2-yl)ethylamino]-5-fluorobenzonitrile
CID 106034984

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine?
The IUPAC name of 4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine (CID 106037251) is 4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine?
The canonical SMILES for 4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine is Nc1ccc(NCCc2ccc(Cl)s2)cc1N.
What is the InChIKey of 4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine?
The InChIKey is GYGJUCMTELJTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c13-12-4-2-9(17-12)5-6-16-8-1-3-10(14)11(15)7-8/h1-4,7,16H,5-6,14-15H2.
What are the key properties of 4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine?
4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine has a molecular weight of 267.79 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine is sourced from PubChem (CID 106037251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).