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

C17H29N3S — CID 61192995

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC(C)c2sc(C)nc2C)CC1
InChIInChI=1S/C17H29N3S/c1-12(2)6-9-20-10-7-16(8-11-20)19-14(4)17-13(3)18-15(5)21-17/h6,14,16,19H,7-11H2,1-5H3
InChIKeyRYSOQUOSTBDQEF-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.84
Rot. Bonds5

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 61192995) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID61192995
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC(C)c2sc(C)nc2C)CC1
InChIInChI=1S/C17H29N3S/c1-12(2)6-9-20-10-7-16(8-11-20)19-14(4)17-13(3)18-15(5)21-17/h6,14,16,19H,7-11H2,1-5H3
InChIKeyRYSOQUOSTBDQEF-UHFFFAOYSA-N
XLogP3.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.84
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-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 61192995) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCN1CCC(NC(C)c2sc(C)nc2C)CC1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is RYSOQUOSTBDQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-12(2)6-9-20-10-7-16(8-11-20)19-14(4)17-13(3)18-15(5)21-17/h6,14,16,19H,7-11H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 307.51 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 61192995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).