1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine

C16H27N3S — CID 82437849

IUPAC1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(CCN2CCC(C)CC2)nc1C1CC1
InChIInChI=1S/C16H27N3S/c1-12-5-8-19(9-6-12)10-7-15-18-16(13-3-4-13)14(20-15)11-17-2/h12-13,17H,3-11H2,1-2H3
InChIKeyPDQNPIBDAFNQMP-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.01
Rot. Bonds6

About 1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 82437849) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID82437849
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(CCN2CCC(C)CC2)nc1C1CC1
InChIInChI=1S/C16H27N3S/c1-12-5-8-19(9-6-12)10-7-15-18-16(13-3-4-13)14(20-15)11-17-2/h12-13,17H,3-11H2,1-2H3
InChIKeyPDQNPIBDAFNQMP-UHFFFAOYSA-N
XLogP3.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine (CID 82437849) is 1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(CCN2CCC(C)CC2)nc1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is PDQNPIBDAFNQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-12-5-8-19(9-6-12)10-7-15-18-16(13-3-4-13)14(20-15)11-17-2/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 293.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82437849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).