4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile

C11H10N4S — CID 63885408

IUPAC4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
SMILESCn1ccnc1SCc1ccnc(C#N)c1
InChIInChI=1S/C11H10N4S/c1-15-5-4-14-11(15)16-8-9-2-3-13-10(6-9)7-12/h2-6H,8H2,1H3
InChIKeyZYEHUZOZRQEZJM-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.98
Rot. Bonds3

About 4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile

4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile (PubChem CID 63885408) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
PubChem CID63885408
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
SMILESCn1ccnc1SCc1ccnc(C#N)c1
InChIInChI=1S/C11H10N4S/c1-15-5-4-14-11(15)16-8-9-2-3-13-10(6-9)7-12/h2-6H,8H2,1H3
InChIKeyZYEHUZOZRQEZJM-UHFFFAOYSA-N
XLogP1.98
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63882087
4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 106922512
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63886379
[3-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 43530165
4-[(4-tert-butylphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63884637
4-[[5-(aminomethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine-2-carbonitrile
CID 63882735
4-[(4-bromophenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63884833
4-(propylsulfanylmethyl)pyridine-2-carbonitrile
CID 63884249
4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63885602
4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 63885411
4-[(2-amino-5-methylphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 79142072
4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 63886534

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile (CID 63885408) is 4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile is Cn1ccnc1SCc1ccnc(C#N)c1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile?
The InChIKey is ZYEHUZOZRQEZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-15-5-4-14-11(15)16-8-9-2-3-13-10(6-9)7-12/h2-6H,8H2,1H3.
What are the key properties of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile?
4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile has a molecular weight of 230.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63885408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).