N-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

C16H29N3OS — CID 64544373

IUPACN-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(N2CCCC(OCCC)C2)n1
InChIInChI=1S/C16H29N3OS/c1-4-8-17-13(3)15-12-21-16(18-15)19-9-6-7-14(11-19)20-10-5-2/h12-14,17H,4-11H2,1-3H3
InChIKeyYVZRUSBHZRNWIZ-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.60
Rot. Bonds8

About N-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

N-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 64544373) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID64544373
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(N2CCCC(OCCC)C2)n1
InChIInChI=1S/C16H29N3OS/c1-4-8-17-13(3)15-12-21-16(18-15)19-9-6-7-14(11-19)20-10-5-2/h12-14,17H,4-11H2,1-3H3
InChIKeyYVZRUSBHZRNWIZ-UHFFFAOYSA-N
XLogP3.60
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 64544373) is N-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(N2CCCC(OCCC)C2)n1.
What is the InChIKey of N-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is YVZRUSBHZRNWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-4-8-17-13(3)15-12-21-16(18-15)19-9-6-7-14(11-19)20-10-5-2/h12-14,17H,4-11H2,1-3H3.
What are the key properties of N-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 311.50 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 64544373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).