3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine

C12H15N3S — CID 104540489

IUPAC3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine
SMILESCc1cc(CNc2cccnc2N)sc1C
InChIInChI=1S/C12H15N3S/c1-8-6-10(16-9(8)2)7-15-11-4-3-5-14-12(11)13/h3-6,15H,7H2,1-2H3,(H2,13,14)
InChIKeyFBLISAHLVCYKDB-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.95
Rot. Bonds3

About 3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine

3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine (PubChem CID 104540489) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine
PubChem CID104540489
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine
SMILESCc1cc(CNc2cccnc2N)sc1C
InChIInChI=1S/C12H15N3S/c1-8-6-10(16-9(8)2)7-15-11-4-3-5-14-12(11)13/h3-6,15H,7H2,1-2H3,(H2,13,14)
InChIKeyFBLISAHLVCYKDB-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine
CID 65246171
3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine
CID 104540435
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine
CID 65243439
3-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylbenzene-1,3-diamine
CID 65246174
5-N-[(4,5-dimethylthiophen-2-yl)methyl]isoquinoline-5,8-diamine
CID 65246228
1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-fluorobenzene-1,4-diamine
CID 65246274
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 65245869
3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine
CID 65245690
5-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 113320967
N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 65245675
2-[(4,5-dimethylthiophen-2-yl)methylamino]-6-fluorobenzoic acid
CID 79511756
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80931350

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine (CID 104540489) is 3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine is Cc1cc(CNc2cccnc2N)sc1C.
What is the InChIKey of 3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine?
The InChIKey is FBLISAHLVCYKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-6-10(16-9(8)2)7-15-11-4-3-5-14-12(11)13/h3-6,15H,7H2,1-2H3,(H2,13,14).
What are the key properties of 3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine?
3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine has a molecular weight of 233.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 104540489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).