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

C15H18N2O2S — CID 15956091

IUPACN-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nccs2)cc1OCC=C(C)C
InChIInChI=1S/C15H18N2O2S/c1-11(2)6-8-19-14-10-12(4-5-13(14)18-3)17-15-16-7-9-20-15/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKeyDDDNNIIOHMDTCZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.24
Rot. Bonds6

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

N-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 15956091) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID15956091
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nccs2)cc1OCC=C(C)C
InChIInChI=1S/C15H18N2O2S/c1-11(2)6-8-19-14-10-12(4-5-13(14)18-3)17-15-16-7-9-20-15/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKeyDDDNNIIOHMDTCZ-UHFFFAOYSA-N
XLogP4.24
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxy-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine (CID 15956091) is N-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine is COc1ccc(Nc2nccs2)cc1OCC=C(C)C.
What is the InChIKey of N-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is DDDNNIIOHMDTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11(2)6-8-19-14-10-12(4-5-13(14)18-3)17-15-16-7-9-20-15/h4-7,9-10H,8H2,1-3H3,(H,16,17).
What are the key properties of N-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
N-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 290.39 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 15956091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).