5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine

C12H15N3S — CID 83265635

IUPAC5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine
SMILESCc1cnc(NC(C)c2ccsc2)cc1N
InChIInChI=1S/C12H15N3S/c1-8-6-14-12(5-11(8)13)15-9(2)10-3-4-16-7-10/h3-7,9H,1-2H3,(H3,13,14,15)
InChIKeyDQQDROLNZVBRKT-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.21
Rot. Bonds3

About 5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine

5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine (PubChem CID 83265635) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine
PubChem CID83265635
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine
SMILESCc1cnc(NC(C)c2ccsc2)cc1N
InChIInChI=1S/C12H15N3S/c1-8-6-14-12(5-11(8)13)15-9(2)10-3-4-16-7-10/h3-7,9H,1-2H3,(H3,13,14,15)
InChIKeyDQQDROLNZVBRKT-UHFFFAOYSA-N
XLogP3.21
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-N-(1-phenylethyl)pyridine-2,4-diamine
CID 83265107
N-(1-thiophen-3-ylethyl)pyrazin-2-amine
CID 62845252
5-methyl-2-N-(1-pyridin-2-ylethyl)pyridine-2,4-diamine
CID 83266097
2-propan-2-yl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80957246
6-methoxy-2-N-(1-thiophen-3-ylethyl)pyridine-2,5-diamine
CID 55121867
N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330449
6-propoxy-2-N-(1-thiophen-3-ylethyl)pyridine-2,5-diamine
CID 62842553
4-chloro-1-N-(1-thiophen-3-ylethyl)benzene-1,2-diamine
CID 62840811
N-(1-thiophen-3-ylethyl)pyrimidin-5-amine
CID 107588181
6-methyl-4-N-(1-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327402
3-N-(1-thiophen-3-ylethyl)benzene-1,3-diamine
CID 62841671
5-methoxy-2-methyl-N-(1-thiophen-3-ylethyl)pyridin-4-amine
CID 106660484

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine (CID 83265635) is 5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine is Cc1cnc(NC(C)c2ccsc2)cc1N.
What is the InChIKey of 5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine?
The InChIKey is DQQDROLNZVBRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-6-14-12(5-11(8)13)15-9(2)10-3-4-16-7-10/h3-7,9H,1-2H3,(H3,13,14,15).
What are the key properties of 5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine?
5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine has a molecular weight of 233.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine is sourced from PubChem (CID 83265635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).