N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine

C16H20N2OS — CID 15956093

IUPACN-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
SMILESCCc1ccc(Nc2nccs2)cc1OCC=C(C)C
InChIInChI=1S/C16H20N2OS/c1-4-13-5-6-14(18-16-17-8-10-20-16)11-15(13)19-9-7-12(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,17,18)
InChIKeyDHGUBEMTMXQPCL-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.79
Rot. Bonds6

About N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine

N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 15956093) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID15956093
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
SMILESCCc1ccc(Nc2nccs2)cc1OCC=C(C)C
InChIInChI=1S/C16H20N2OS/c1-4-13-5-6-14(18-16-17-8-10-20-16)11-15(13)19-9-7-12(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,17,18)
InChIKeyDHGUBEMTMXQPCL-UHFFFAOYSA-N
XLogP4.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.79
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-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine (CID 15956093) is N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine is CCc1ccc(Nc2nccs2)cc1OCC=C(C)C.
What is the InChIKey of N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is DHGUBEMTMXQPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-13-5-6-14(18-16-17-8-10-20-16)11-15(13)19-9-7-12(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,17,18).
What are the key properties of N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 288.42 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 15956093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).