N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine

C13H23N3S — CID 64990558

IUPACN-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC1CCN(CCNC(C)c2nccs2)CC1
InChIInChI=1S/C13H23N3S/c1-11-3-7-16(8-4-11)9-5-14-12(2)13-15-6-10-17-13/h6,10-12,14H,3-5,7-9H2,1-2H3
InChIKeyKRVRWKDBRLHEMQ-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.53
Rot. Bonds5

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

N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 64990558) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID64990558
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC1CCN(CCNC(C)c2nccs2)CC1
InChIInChI=1S/C13H23N3S/c1-11-3-7-16(8-4-11)9-5-14-12(2)13-15-6-10-17-13/h6,10-12,14H,3-5,7-9H2,1-2H3
InChIKeyKRVRWKDBRLHEMQ-UHFFFAOYSA-N
XLogP2.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 64990558) is N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine is CC1CCN(CCNC(C)c2nccs2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is KRVRWKDBRLHEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11-3-7-16(8-4-11)9-5-14-12(2)13-15-6-10-17-13/h6,10-12,14H,3-5,7-9H2,1-2H3.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 64990558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).