1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile

C13H19N3S — CID 131925287

IUPAC1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile
SMILESCc1nc(C)c(CN2CCCC(C)(C#N)C2)s1
InChIInChI=1S/C13H19N3S/c1-10-12(17-11(2)15-10)7-16-6-4-5-13(3,8-14)9-16/h4-7,9H2,1-3H3
InChIKeyVLMVWJKNBNBCGH-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.89
Rot. Bonds2

About 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile (PubChem CID 131925287) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile
PubChem CID131925287
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile
SMILESCc1nc(C)c(CN2CCCC(C)(C#N)C2)s1
InChIInChI=1S/C13H19N3S/c1-10-12(17-11(2)15-10)7-16-6-4-5-13(3,8-14)9-16/h4-7,9H2,1-3H3
InChIKeyVLMVWJKNBNBCGH-UHFFFAOYSA-N
XLogP2.89
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-2,4-dimethyl-1,3-thiazole
CID 122558697
1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile
CID 131903864
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride
CID 120908014
(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 129470952
5-[(4-cyclobutylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
CID 155980200
5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
CID 154829009
3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile
CID 131945394
5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 131939365
3-[(3-cyano-3-methylpiperidin-1-yl)methyl]benzoic acid
CID 131906181
1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile
CID 131903355
1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 71978470
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol
CID 115873781

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile (CID 131925287) is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile is Cc1nc(C)c(CN2CCCC(C)(C#N)C2)s1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile?
The InChIKey is VLMVWJKNBNBCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-10-12(17-11(2)15-10)7-16-6-4-5-13(3,8-14)9-16/h4-7,9H2,1-3H3.
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile?
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile has a molecular weight of 249.38 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile is sourced from PubChem (CID 131925287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).