[4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine

C13H23N3S — CID 103441803

IUPAC[4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine
SMILESCc1ncsc1CCN1CCC(C)CC1CN
InChIInChI=1S/C13H23N3S/c1-10-3-5-16(12(7-10)8-14)6-4-13-11(2)15-9-17-13/h9-10,12H,3-8,14H2,1-2H3
InChIKeyUGIUKTGBOUFVCS-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.05
Rot. Bonds4

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

[4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine (PubChem CID 103441803) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is [4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine
PubChem CID103441803
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name[4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine
SMILESCc1ncsc1CCN1CCC(C)CC1CN
InChIInChI=1S/C13H23N3S/c1-10-3-5-16(12(7-10)8-14)6-4-13-11(2)15-9-17-13/h9-10,12H,3-8,14H2,1-2H3
InChIKeyUGIUKTGBOUFVCS-UHFFFAOYSA-N
XLogP2.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine (CID 103441803) is [4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine is Cc1ncsc1CCN1CCC(C)CC1CN.
What is the InChIKey of [4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine?
The InChIKey is UGIUKTGBOUFVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10-3-5-16(12(7-10)8-14)6-4-13-11(2)15-9-17-13/h9-10,12H,3-8,14H2,1-2H3.
What are the key properties of [4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine?
[4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine has a molecular weight of 253.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 103441803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).