4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile

C11H15N3S — CID 103993865

IUPAC4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile
SMILESCC1(C#N)CCN(Cc2nccs2)CC1
InChIInChI=1S/C11H15N3S/c1-11(9-12)2-5-14(6-3-11)8-10-13-4-7-15-10/h4,7H,2-3,5-6,8H2,1H3
InChIKeyVGMSXMFTUITQCP-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.27
Rot. Bonds2

About 4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile

4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile (PubChem CID 103993865) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile
PubChem CID103993865
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile
SMILESCC1(C#N)CCN(Cc2nccs2)CC1
InChIInChI=1S/C11H15N3S/c1-11(9-12)2-5-14(6-3-11)8-10-13-4-7-15-10/h4,7H,2-3,5-6,8H2,1H3
InChIKeyVGMSXMFTUITQCP-UHFFFAOYSA-N
XLogP2.27
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole
CID 97396857
2-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131645302
9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97392222
N,N-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 141061386
2-[[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
CID 97370593
(3R)-N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97490567
3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 120781587
4-(1,3-thiazol-2-ylmethyl)-1,4-thiazepane
CID 84592058
1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 103993942
2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370008
2-(3-methylbut-2-enyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72894081
3,5-dimethyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2-oxazole
CID 97385375

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile?
The IUPAC name of 4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile (CID 103993865) is 4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile is CC1(C#N)CCN(Cc2nccs2)CC1.
What is the InChIKey of 4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile?
The InChIKey is VGMSXMFTUITQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-11(9-12)2-5-14(6-3-11)8-10-13-4-7-15-10/h4,7H,2-3,5-6,8H2,1H3.
What are the key properties of 4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile?
4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile has a molecular weight of 221.33 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 103993865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).