N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine

C17H29N3S — CID 75428392

IUPACN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCCc1cnc(CCNC2CCN(CC=C(C)C)CC2)s1
InChIInChI=1S/C17H29N3S/c1-4-16-13-19-17(21-16)5-9-18-15-7-11-20(12-8-15)10-6-14(2)3/h6,13,15,18H,4-5,7-12H2,1-3H3
InChIKeyGJTNNNZQODLOTI-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.27
Rot. Bonds7

About N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 75428392) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID75428392
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCCc1cnc(CCNC2CCN(CC=C(C)C)CC2)s1
InChIInChI=1S/C17H29N3S/c1-4-16-13-19-17(21-16)5-9-18-15-7-11-20(12-8-15)10-6-14(2)3/h6,13,15,18H,4-5,7-12H2,1-3H3
InChIKeyGJTNNNZQODLOTI-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 75428392) is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is CCc1cnc(CCNC2CCN(CC=C(C)C)CC2)s1.
What is the InChIKey of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is GJTNNNZQODLOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-4-16-13-19-17(21-16)5-9-18-15-7-11-20(12-8-15)10-6-14(2)3/h6,13,15,18H,4-5,7-12H2,1-3H3.
What are the key properties of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 307.51 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 75428392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).