5-chloro-2-N-(5-chlorothiophen-2-yl)-2-N,4-N,4-N-trimethylthiophene-2,4-diamine

C11H12Cl2N2S2 — CID 69104887

IUPAC5-chloro-2-N-(5-chlorothiophen-2-yl)-2-N,4-N,4-N-trimethylthiophene-2,4-diamine
SMILESCN(C)c1cc(N(C)c2ccc(Cl)s2)sc1Cl
InChIInChI=1S/C11H12Cl2N2S2/c1-14(2)7-6-10(17-11(7)13)15(3)9-5-4-8(12)16-9/h4-6H,1-3H3
InChIKeyYLSZVKRQUKBLID-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.95
Rot. Bonds3

About 5-chloro-2-N-(5-chlorothiophen-2-yl)-2-N,4-N,4-N-trimethylthiophene-2,4-diamine

5-chloro-2-N-(5-chlorothiophen-2-yl)-2-N,4-N,4-N-trimethylthiophene-2,4-diamine (PubChem CID 69104887) has the molecular formula C11H12Cl2N2S2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 5-chloro-2-N-(5-chlorothiophen-2-yl)-2-N,4-N,4-N-trimethylthiophene-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(5-chlorothiophen-2-yl)-2-N,4-N,4-N-trimethylthiophene-2,4-diamine
PubChem CID69104887
Molecular FormulaC11H12Cl2N2S2
Molecular Weight307.27 g/mol
Exact Mass305.98
IUPAC Name5-chloro-2-N-(5-chlorothiophen-2-yl)-2-N,4-N,4-N-trimethylthiophene-2,4-diamine
SMILESCN(C)c1cc(N(C)c2ccc(Cl)s2)sc1Cl
InChIInChI=1S/C11H12Cl2N2S2/c1-14(2)7-6-10(17-11(7)13)15(3)9-5-4-8(12)16-9/h4-6H,1-3H3
InChIKeyYLSZVKRQUKBLID-UHFFFAOYSA-N
XLogP4.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(5-chlorothiophen-2-yl)-2-N,4-N,4-N-trimethylthiophene-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(5-chlorothiophen-2-yl)-2-N,4-N,4-N-trimethylthiophene-2,4-diamine (CID 69104887) is 5-chloro-2-N-(5-chlorothiophen-2-yl)-2-N,4-N,4-N-trimethylthiophene-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(5-chlorothiophen-2-yl)-2-N,4-N,4-N-trimethylthiophene-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(5-chlorothiophen-2-yl)-2-N,4-N,4-N-trimethylthiophene-2,4-diamine is CN(C)c1cc(N(C)c2ccc(Cl)s2)sc1Cl.
What is the InChIKey of 5-chloro-2-N-(5-chlorothiophen-2-yl)-2-N,4-N,4-N-trimethylthiophene-2,4-diamine?
The InChIKey is YLSZVKRQUKBLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2S2/c1-14(2)7-6-10(17-11(7)13)15(3)9-5-4-8(12)16-9/h4-6H,1-3H3.
What are the key properties of 5-chloro-2-N-(5-chlorothiophen-2-yl)-2-N,4-N,4-N-trimethylthiophene-2,4-diamine?
5-chloro-2-N-(5-chlorothiophen-2-yl)-2-N,4-N,4-N-trimethylthiophene-2,4-diamine has a molecular weight of 307.27 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(5-chlorothiophen-2-yl)-2-N,4-N,4-N-trimethylthiophene-2,4-diamine is sourced from PubChem (CID 69104887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).