3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine

C12H19N3S — CID 76996795

IUPAC3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine
SMILESCc1nc(N2CCCCC2)sc1C=CCN
InChIInChI=1S/C12H19N3S/c1-10-11(6-5-7-13)16-12(14-10)15-8-3-2-4-9-15/h5-6H,2-4,7-9,13H2,1H3
InChIKeyDGSAWHDTMXLUCF-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.41
Rot. Bonds3

About 3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine

3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine (PubChem CID 76996795) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine
PubChem CID76996795
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine
SMILESCc1nc(N2CCCCC2)sc1C=CCN
InChIInChI=1S/C12H19N3S/c1-10-11(6-5-7-13)16-12(14-10)15-8-3-2-4-9-15/h5-6H,2-4,7-9,13H2,1H3
InChIKeyDGSAWHDTMXLUCF-UHFFFAOYSA-N
XLogP2.41
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine?
The IUPAC name of 3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine (CID 76996795) is 3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine is Cc1nc(N2CCCCC2)sc1C=CCN.
What is the InChIKey of 3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine?
The InChIKey is DGSAWHDTMXLUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-10-11(6-5-7-13)16-12(14-10)15-8-3-2-4-9-15/h5-6H,2-4,7-9,13H2,1H3.
What are the key properties of 3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine?
3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine has a molecular weight of 237.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-en-1-amine is sourced from PubChem (CID 76996795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).