5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine

C12H15N3S — CID 106015386

IUPAC5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine
SMILESCCc1ccc(CNc2cncc(N)c2)s1
InChIInChI=1S/C12H15N3S/c1-2-11-3-4-12(16-11)8-15-10-5-9(13)6-14-7-10/h3-7,15H,2,8,13H2,1H3
InChIKeyVDUAPXBSBAUZRB-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.90
Rot. Bonds4

About 5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine

5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine (PubChem CID 106015386) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine
PubChem CID106015386
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine
SMILESCCc1ccc(CNc2cncc(N)c2)s1
InChIInChI=1S/C12H15N3S/c1-2-11-3-4-12(16-11)8-15-10-5-9(13)6-14-7-10/h3-7,15H,2,8,13H2,1H3
InChIKeyVDUAPXBSBAUZRB-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282
3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine
CID 106007348
N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103934195
5-N-[(2-methylphenyl)methyl]pyridine-3,5-diamine
CID 104533137
2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 106015202
N-[(5-ethylthiophen-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 104840172
4-N-[(5-ethylthiophen-2-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 106007357
4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 106010377
4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide
CID 104880016
4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 65025343
N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 55062602
3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106013087

Frequently Asked Questions

What is the IUPAC name of 5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine?
The IUPAC name of 5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine (CID 106015386) is 5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine.
What is the SMILES notation for 5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine?
The canonical SMILES for 5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine is CCc1ccc(CNc2cncc(N)c2)s1.
What is the InChIKey of 5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine?
The InChIKey is VDUAPXBSBAUZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-11-3-4-12(16-11)8-15-10-5-9(13)6-14-7-10/h3-7,15H,2,8,13H2,1H3.
What are the key properties of 5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine?
5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine has a molecular weight of 233.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3,5-diamine is sourced from PubChem (CID 106015386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).