5-chloro-2-N-(5-chlorothiophen-3-yl)-4-N-methylthiophene-2,4-diamine

C9H8Cl2N2S2 — CID 173138660

IUPAC5-chloro-2-N-(5-chlorothiophen-3-yl)-4-N-methylthiophene-2,4-diamine
SMILESCNc1cc(Nc2csc(Cl)c2)sc1Cl
InChIInChI=1S/C9H8Cl2N2S2/c1-12-6-3-8(15-9(6)11)13-5-2-7(10)14-4-5/h2-4,12-13H,1H3
InChIKeyVRCNBCHAOBZCBJ-UHFFFAOYSA-N
MW279.22 g/mol
LogP4.90
Rot. Bonds3

About 5-chloro-2-N-(5-chlorothiophen-3-yl)-4-N-methylthiophene-2,4-diamine

5-chloro-2-N-(5-chlorothiophen-3-yl)-4-N-methylthiophene-2,4-diamine (PubChem CID 173138660) has the molecular formula C9H8Cl2N2S2 and a molecular weight of 279.22 g/mol. Its IUPAC name is 5-chloro-2-N-(5-chlorothiophen-3-yl)-4-N-methylthiophene-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(5-chlorothiophen-3-yl)-4-N-methylthiophene-2,4-diamine
PubChem CID173138660
Molecular FormulaC9H8Cl2N2S2
Molecular Weight279.22 g/mol
Exact Mass277.95
IUPAC Name5-chloro-2-N-(5-chlorothiophen-3-yl)-4-N-methylthiophene-2,4-diamine
SMILESCNc1cc(Nc2csc(Cl)c2)sc1Cl
InChIInChI=1S/C9H8Cl2N2S2/c1-12-6-3-8(15-9(6)11)13-5-2-7(10)14-4-5/h2-4,12-13H,1H3
InChIKeyVRCNBCHAOBZCBJ-UHFFFAOYSA-N
XLogP4.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(5-chlorothiophen-3-yl)-4-N-methylthiophene-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(5-chlorothiophen-3-yl)-4-N-methylthiophene-2,4-diamine (CID 173138660) is 5-chloro-2-N-(5-chlorothiophen-3-yl)-4-N-methylthiophene-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(5-chlorothiophen-3-yl)-4-N-methylthiophene-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(5-chlorothiophen-3-yl)-4-N-methylthiophene-2,4-diamine is CNc1cc(Nc2csc(Cl)c2)sc1Cl.
What is the InChIKey of 5-chloro-2-N-(5-chlorothiophen-3-yl)-4-N-methylthiophene-2,4-diamine?
The InChIKey is VRCNBCHAOBZCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2S2/c1-12-6-3-8(15-9(6)11)13-5-2-7(10)14-4-5/h2-4,12-13H,1H3.
What are the key properties of 5-chloro-2-N-(5-chlorothiophen-3-yl)-4-N-methylthiophene-2,4-diamine?
5-chloro-2-N-(5-chlorothiophen-3-yl)-4-N-methylthiophene-2,4-diamine has a molecular weight of 279.22 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(5-chlorothiophen-3-yl)-4-N-methylthiophene-2,4-diamine is sourced from PubChem (CID 173138660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).