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

C13H19N3S — CID 82435632

IUPAC2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile
SMILESCC1CCCN(c2nc(C(C)C)c(C#N)s2)C1
InChIInChI=1S/C13H19N3S/c1-9(2)12-11(7-14)17-13(15-12)16-6-4-5-10(3)8-16/h9-10H,4-6,8H2,1-3H3
InChIKeyFGYFAAZFIAWDHY-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.37
Rot. Bonds2

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

2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile (PubChem CID 82435632) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile
PubChem CID82435632
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile
SMILESCC1CCCN(c2nc(C(C)C)c(C#N)s2)C1
InChIInChI=1S/C13H19N3S/c1-9(2)12-11(7-14)17-13(15-12)16-6-4-5-10(3)8-16/h9-10H,4-6,8H2,1-3H3
InChIKeyFGYFAAZFIAWDHY-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79395879
N-[[2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79395785
2-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetonitrile
CID 82427908
4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile
CID 106595966
2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435296
2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79393043
4-chloro-2-(3-methylazetidin-1-yl)-1,3-thiazole-5-carbonitrile
CID 130621289
N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764654
N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79393593
N-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62750048
N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 55114053
methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 78916486

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile (CID 82435632) is 2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile is CC1CCCN(c2nc(C(C)C)c(C#N)s2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile?
The InChIKey is FGYFAAZFIAWDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9(2)12-11(7-14)17-13(15-12)16-6-4-5-10(3)8-16/h9-10H,4-6,8H2,1-3H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile?
2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile has a molecular weight of 249.38 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82435632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).