4-N,4-N-diethyl-1-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine

C17H19N3S2 — CID 1203210

IUPAC4-N,4-N-diethyl-1-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C17H19N3S2/c1-3-20(4-2)14-9-7-13(8-10-14)18-17-19-15(12-22-17)16-6-5-11-21-16/h5-12H,3-4H2,1-2H3,(H,18,19)
InChIKeyCXSQTGGPDGNRKF-UHFFFAOYSA-N
MW329.49 g/mol
LogP5.46
Rot. Bonds6

About 4-N,4-N-diethyl-1-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine

4-N,4-N-diethyl-1-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine (PubChem CID 1203210) has the molecular formula C17H19N3S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
PubChem CID1203210
Molecular FormulaC17H19N3S2
Molecular Weight329.49 g/mol
Exact Mass329.10
IUPAC Name4-N,4-N-diethyl-1-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C17H19N3S2/c1-3-20(4-2)14-9-7-13(8-10-14)18-17-19-15(12-22-17)16-6-5-11-21-16/h5-12H,3-4H2,1-2H3,(H,18,19)
InChIKeyCXSQTGGPDGNRKF-UHFFFAOYSA-N
XLogP5.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine (CID 1203210) is 4-N,4-N-diethyl-1-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine is CCN(CC)c1ccc(Nc2nc(-c3cccs3)cs2)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The InChIKey is CXSQTGGPDGNRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S2/c1-3-20(4-2)14-9-7-13(8-10-14)18-17-19-15(12-22-17)16-6-5-11-21-16/h5-12H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 4-N,4-N-diethyl-1-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine has a molecular weight of 329.49 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 1203210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).