[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine

C14H25N3S — CID 114959869

IUPAC[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine
SMILESCc1nc(C)c(C(C)N2CCC(C)C(CN)C2)s1
InChIInChI=1S/C14H25N3S/c1-9-5-6-17(8-13(9)7-15)11(3)14-10(2)16-12(4)18-14/h9,11,13H,5-8,15H2,1-4H3
InChIKeyHMBGUKZBDHAGBW-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.74
Rot. Bonds3

About [1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine

[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine (PubChem CID 114959869) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is [1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine
PubChem CID114959869
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine
SMILESCc1nc(C)c(C(C)N2CCC(C)C(CN)C2)s1
InChIInChI=1S/C14H25N3S/c1-9-5-6-17(8-13(9)7-15)11(3)14-10(2)16-12(4)18-14/h9,11,13H,5-8,15H2,1-4H3
InChIKeyHMBGUKZBDHAGBW-UHFFFAOYSA-N
XLogP2.74
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine (CID 114959869) is [1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine is Cc1nc(C)c(C(C)N2CCC(C)C(CN)C2)s1.
What is the InChIKey of [1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine?
The InChIKey is HMBGUKZBDHAGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-9-5-6-17(8-13(9)7-15)11(3)14-10(2)16-12(4)18-14/h9,11,13H,5-8,15H2,1-4H3.
What are the key properties of [1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine?
[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine has a molecular weight of 267.44 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114959869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).