N-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine

C16H17Cl2N5S — CID 18549029

IUPACN-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nc2cc(Cl)c(Cl)cc2nc1-c1nccs1
InChIInChI=1S/C16H17Cl2N5S/c1-23(2)6-3-4-19-15-14(16-20-5-7-24-16)21-12-8-10(17)11(18)9-13(12)22-15/h5,7-9H,3-4,6H2,1-2H3,(H,19,22)
InChIKeyUXCSUMZSIFCEDV-UHFFFAOYSA-N
MW382.32 g/mol
LogP4.42
Rot. Bonds6

About N-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine

N-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 18549029) has the molecular formula C16H17Cl2N5S and a molecular weight of 382.32 g/mol. Its IUPAC name is N-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID18549029
Molecular FormulaC16H17Cl2N5S
Molecular Weight382.32 g/mol
Exact Mass381.06
IUPAC NameN-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nc2cc(Cl)c(Cl)cc2nc1-c1nccs1
InChIInChI=1S/C16H17Cl2N5S/c1-23(2)6-3-4-19-15-14(16-20-5-7-24-16)21-12-8-10(17)11(18)9-13(12)22-15/h5,7-9H,3-4,6H2,1-2H3,(H,19,22)
InChIKeyUXCSUMZSIFCEDV-UHFFFAOYSA-N
XLogP4.42
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine (CID 18549029) is N-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1nc2cc(Cl)c(Cl)cc2nc1-c1nccs1.
What is the InChIKey of N-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is UXCSUMZSIFCEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N5S/c1-23(2)6-3-4-19-15-14(16-20-5-7-24-16)21-12-8-10(17)11(18)9-13(12)22-15/h5,7-9H,3-4,6H2,1-2H3,(H,19,22).
What are the key properties of N-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 382.32 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dichloro-3-(1,3-thiazol-2-yl)quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 18549029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).