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

C9H8Cl2N2S2 — CID 173061701

IUPAC3-chloro-5-N-(4-chlorothiophen-3-yl)-2-N-methylthiophene-2,5-diamine
SMILESCNc1sc(Nc2cscc2Cl)cc1Cl
InChIInChI=1S/C9H8Cl2N2S2/c1-12-9-5(10)2-8(15-9)13-7-4-14-3-6(7)11/h2-4,12-13H,1H3
InChIKeyMYLJTVHSDPDGEZ-UHFFFAOYSA-N
MW279.22 g/mol
LogP4.90
Rot. Bonds3

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

3-chloro-5-N-(4-chlorothiophen-3-yl)-2-N-methylthiophene-2,5-diamine (PubChem CID 173061701) has the molecular formula C9H8Cl2N2S2 and a molecular weight of 279.22 g/mol. Its IUPAC name is 3-chloro-5-N-(4-chlorothiophen-3-yl)-2-N-methylthiophene-2,5-diamine.

Molecular Properties

Compound Name3-chloro-5-N-(4-chlorothiophen-3-yl)-2-N-methylthiophene-2,5-diamine
PubChem CID173061701
Molecular FormulaC9H8Cl2N2S2
Molecular Weight279.22 g/mol
Exact Mass277.95
IUPAC Name3-chloro-5-N-(4-chlorothiophen-3-yl)-2-N-methylthiophene-2,5-diamine
SMILESCNc1sc(Nc2cscc2Cl)cc1Cl
InChIInChI=1S/C9H8Cl2N2S2/c1-12-9-5(10)2-8(15-9)13-7-4-14-3-6(7)11/h2-4,12-13H,1H3
InChIKeyMYLJTVHSDPDGEZ-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 3-chloro-5-N-(4-chlorothiophen-3-yl)-2-N-methylthiophene-2,5-diamine?
The IUPAC name of 3-chloro-5-N-(4-chlorothiophen-3-yl)-2-N-methylthiophene-2,5-diamine (CID 173061701) is 3-chloro-5-N-(4-chlorothiophen-3-yl)-2-N-methylthiophene-2,5-diamine.
What is the SMILES notation for 3-chloro-5-N-(4-chlorothiophen-3-yl)-2-N-methylthiophene-2,5-diamine?
The canonical SMILES for 3-chloro-5-N-(4-chlorothiophen-3-yl)-2-N-methylthiophene-2,5-diamine is CNc1sc(Nc2cscc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-5-N-(4-chlorothiophen-3-yl)-2-N-methylthiophene-2,5-diamine?
The InChIKey is MYLJTVHSDPDGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2S2/c1-12-9-5(10)2-8(15-9)13-7-4-14-3-6(7)11/h2-4,12-13H,1H3.
What are the key properties of 3-chloro-5-N-(4-chlorothiophen-3-yl)-2-N-methylthiophene-2,5-diamine?
3-chloro-5-N-(4-chlorothiophen-3-yl)-2-N-methylthiophene-2,5-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 3-chloro-5-N-(4-chlorothiophen-3-yl)-2-N-methylthiophene-2,5-diamine is sourced from PubChem (CID 173061701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).