2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile

C15H23N3S — CID 82432970

IUPAC2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile
SMILESCCCc1nc(CN2CCCCC2C)sc1CC#N
InChIInChI=1S/C15H23N3S/c1-3-6-13-14(8-9-16)19-15(17-13)11-18-10-5-4-7-12(18)2/h12H,3-8,10-11H2,1-2H3
InChIKeyWFBXAEKJXYCENT-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.54
Rot. Bonds5

About 2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile

2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82432970) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile
PubChem CID82432970
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile
SMILESCCCc1nc(CN2CCCCC2C)sc1CC#N
InChIInChI=1S/C15H23N3S/c1-3-6-13-14(8-9-16)19-15(17-13)11-18-10-5-4-7-12(18)2/h12H,3-8,10-11H2,1-2H3
InChIKeyWFBXAEKJXYCENT-UHFFFAOYSA-N
XLogP3.54
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-cyclopropyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82437627
2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432975
N-[[4-(methoxymethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82441505
N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82439416
N-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82427463
2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile
CID 82135679
N-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82430727
2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82439419
N-[[4-methyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82193766
1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82433152
2-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82427472
1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 82427476

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile (CID 82432970) is 2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile is CCCc1nc(CN2CCCCC2C)sc1CC#N.
What is the InChIKey of 2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is WFBXAEKJXYCENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-3-6-13-14(8-9-16)19-15(17-13)11-18-10-5-4-7-12(18)2/h12H,3-8,10-11H2,1-2H3.
What are the key properties of 2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile?
2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 277.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82432970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).