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

C16H29N3S — CID 82433170

IUPACN-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(CCN2CCC(C)CC2)sc1CNC
InChIInChI=1S/C16H29N3S/c1-4-5-14-15(12-17-3)20-16(18-14)8-11-19-9-6-13(2)7-10-19/h13,17H,4-12H2,1-3H3
InChIKeyZMHNXIJIDUYOHI-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.09
Rot. Bonds7

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

N-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 82433170) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID82433170
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(CCN2CCC(C)CC2)sc1CNC
InChIInChI=1S/C16H29N3S/c1-4-5-14-15(12-17-3)20-16(18-14)8-11-19-9-6-13(2)7-10-19/h13,17H,4-12H2,1-3H3
InChIKeyZMHNXIJIDUYOHI-UHFFFAOYSA-N
XLogP3.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine (CID 82433170) is N-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(CCN2CCC(C)CC2)sc1CNC.
What is the InChIKey of N-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is ZMHNXIJIDUYOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-4-5-14-15(12-17-3)20-16(18-14)8-11-19-9-6-13(2)7-10-19/h13,17H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 295.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82433170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).