5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine

C11H12ClN3S — CID 104533337

IUPAC5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine
SMILESCN(Cc1ccc(Cl)s1)c1cncc(N)c1
InChIInChI=1S/C11H12ClN3S/c1-15(7-10-2-3-11(12)16-10)9-4-8(13)5-14-6-9/h2-6H,7,13H2,1H3
InChIKeyJEQLXLGPDLJFIY-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.02
Rot. Bonds3

About 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine

5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine (PubChem CID 104533337) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine
PubChem CID104533337
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine
SMILESCN(Cc1ccc(Cl)s1)c1cncc(N)c1
InChIInChI=1S/C11H12ClN3S/c1-15(7-10-2-3-11(12)16-10)9-4-8(13)5-14-6-9/h2-6H,7,13H2,1H3
InChIKeyJEQLXLGPDLJFIY-UHFFFAOYSA-N
XLogP3.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
CID 80727262
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 61438708
4-[(1R)-1-aminoethyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 78934665
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 61438246
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80799071
4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80799680
4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 63816137
5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide
CID 61438183
2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine
CID 78918157
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 66340620
N-[(5-chlorothiophen-2-yl)methyl]-3-fluoro-N-methyl-5-nitroaniline
CID 80752826
3-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoic acid
CID 102822767

Frequently Asked Questions

What is the IUPAC name of 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine (CID 104533337) is 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine is CN(Cc1ccc(Cl)s1)c1cncc(N)c1.
What is the InChIKey of 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine?
The InChIKey is JEQLXLGPDLJFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-15(7-10-2-3-11(12)16-10)9-4-8(13)5-14-6-9/h2-6H,7,13H2,1H3.
What are the key properties of 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine?
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine has a molecular weight of 253.76 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104533337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).