[4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine

C11H14N4S — CID 63882087

IUPAC[4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
SMILESCn1ccnc1SCc1ccnc(CN)c1
InChIInChI=1S/C11H14N4S/c1-15-5-4-14-11(15)16-8-9-2-3-13-10(6-9)7-12/h2-6H,7-8,12H2,1H3
InChIKeyMJLPFTHTNVALKP-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.57
Rot. Bonds4

About [4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine

[4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine (PubChem CID 63882087) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is [4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
PubChem CID63882087
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name[4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
SMILESCn1ccnc1SCc1ccnc(CN)c1
InChIInChI=1S/C11H14N4S/c1-15-5-4-14-11(15)16-8-9-2-3-13-10(6-9)7-12/h2-6H,7-8,12H2,1H3
InChIKeyMJLPFTHTNVALKP-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine (CID 63882087) is [4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine is Cn1ccnc1SCc1ccnc(CN)c1.
What is the InChIKey of [4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine?
The InChIKey is MJLPFTHTNVALKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-15-5-4-14-11(15)16-8-9-2-3-13-10(6-9)7-12/h2-6H,7-8,12H2,1H3.
What are the key properties of [4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine?
[4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine has a molecular weight of 234.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63882087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).