5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine

C11H14N4S — CID 62735685

IUPAC5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine
SMILESCCn1ccnc1CSc1ccc(N)nc1
InChIInChI=1S/C11H14N4S/c1-2-15-6-5-13-11(15)8-16-9-3-4-10(12)14-7-9/h3-7H,2,8H2,1H3,(H2,12,14)
InChIKeyWGFAOSYNAJOZJQ-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.17
Rot. Bonds4

About 5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine

5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine (PubChem CID 62735685) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine
PubChem CID62735685
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine
SMILESCCn1ccnc1CSc1ccc(N)nc1
InChIInChI=1S/C11H14N4S/c1-2-15-6-5-13-11(15)8-16-9-3-4-10(12)14-7-9/h3-7H,2,8H2,1H3,(H2,12,14)
InChIKeyWGFAOSYNAJOZJQ-UHFFFAOYSA-N
XLogP2.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]pyridin-2-amine
CID 62137504
2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole
CID 51104658
N-[[3-[(1-ethylimidazol-2-yl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66347289
5-(ethoxymethylsulfanyl)pyridin-2-amine
CID 65369754
2-[(1-ethylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 116795282
3-butyl-5-[(1-ethylimidazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 71995483
5-[(E)-but-2-enyl]sulfanylpyridin-2-amine
CID 43302260
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-2-amine
CID 43302148
4-[2-(1-ethylimidazol-2-yl)ethyl]pyridin-2-amine
CID 79760806
5-(2-propoxyethylsulfanyl)pyridin-2-amine
CID 106453324
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine
CID 43302152

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine (CID 62735685) is 5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine is CCn1ccnc1CSc1ccc(N)nc1.
What is the InChIKey of 5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine?
The InChIKey is WGFAOSYNAJOZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-15-6-5-13-11(15)8-16-9-3-4-10(12)14-7-9/h3-7H,2,8H2,1H3,(H2,12,14).
What are the key properties of 5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine?
5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine has a molecular weight of 234.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 62735685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).