1-[5-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine

C13H23N3S — CID 91472438

IUPAC1-[5-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1nc(C)sc1C1(C)CCNCC1C
InChIInChI=1S/C13H23N3S/c1-9-7-15-6-5-13(9,3)12-11(8-14-4)16-10(2)17-12/h9,14-15H,5-8H2,1-4H3
InChIKeyMURVMUNZIGOGTP-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.06
Rot. Bonds3

About 1-[5-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine

1-[5-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 91472438) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[5-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID91472438
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-[5-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1nc(C)sc1C1(C)CCNCC1C
InChIInChI=1S/C13H23N3S/c1-9-7-15-6-5-13(9,3)12-11(8-14-4)16-10(2)17-12/h9,14-15H,5-8H2,1-4H3
InChIKeyMURVMUNZIGOGTP-UHFFFAOYSA-N
XLogP2.06
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine (CID 91472438) is 1-[5-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine is CNCc1nc(C)sc1C1(C)CCNCC1C.
What is the InChIKey of 1-[5-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is MURVMUNZIGOGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9-7-15-6-5-13(9,3)12-11(8-14-4)16-10(2)17-12/h9,14-15H,5-8H2,1-4H3.
What are the key properties of 1-[5-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[5-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethylpiperidin-4-yl)-2-methyl-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 91472438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).