2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile

C14H21N3S — CID 82435296

IUPAC2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
SMILESCC1CCN(Cc2nc(C(C)C)c(C#N)s2)CC1
InChIInChI=1S/C14H21N3S/c1-10(2)14-12(8-15)18-13(16-14)9-17-6-4-11(3)5-7-17/h10-11H,4-7,9H2,1-3H3
InChIKeyLCIWXTWXLVEMQI-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.37
Rot. Bonds3

About 2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile

2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile (PubChem CID 82435296) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
PubChem CID82435296
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
SMILESCC1CCN(Cc2nc(C(C)C)c(C#N)s2)CC1
InChIInChI=1S/C14H21N3S/c1-10(2)14-12(8-15)18-13(16-14)9-17-6-4-11(3)5-7-17/h10-11H,4-7,9H2,1-3H3
InChIKeyLCIWXTWXLVEMQI-UHFFFAOYSA-N
XLogP3.37
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile (CID 82435296) is 2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile is CC1CCN(Cc2nc(C(C)C)c(C#N)s2)CC1.
What is the InChIKey of 2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile?
The InChIKey is LCIWXTWXLVEMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-10(2)14-12(8-15)18-13(16-14)9-17-6-4-11(3)5-7-17/h10-11H,4-7,9H2,1-3H3.
What are the key properties of 2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile?
2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile has a molecular weight of 263.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82435296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).