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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Related Compounds

3-[2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid
CID 82435312
2-[2-(azepan-1-yl)ethyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435508
4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437848
2-ethyl-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82433582
2-methyl-N-[[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427509
2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435632
1-[2-[(4-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82433019
2-(azepan-1-ylmethyl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 82427769
[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427518
2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82427520
2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82427519
[4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82441546

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).