N-[4-chloro-3-(4-methylpent-3-en-2-yloxy)phenyl]-1,3-thiazol-2-amine

C15H17ClN2OS — CID 86645046

IUPACN-[4-chloro-3-(4-methylpent-3-en-2-yloxy)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)=CC(C)Oc1cc(Nc2nccs2)ccc1Cl
InChIInChI=1S/C15H17ClN2OS/c1-10(2)8-11(3)19-14-9-12(4-5-13(14)16)18-15-17-6-7-20-15/h4-9,11H,1-3H3,(H,17,18)
InChIKeyJXUUFUPOGIXASW-UHFFFAOYSA-N
MW308.83 g/mol
LogP5.27
Rot. Bonds5

About N-[4-chloro-3-(4-methylpent-3-en-2-yloxy)phenyl]-1,3-thiazol-2-amine

N-[4-chloro-3-(4-methylpent-3-en-2-yloxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 86645046) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-[4-chloro-3-(4-methylpent-3-en-2-yloxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(4-methylpent-3-en-2-yloxy)phenyl]-1,3-thiazol-2-amine
PubChem CID86645046
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-[4-chloro-3-(4-methylpent-3-en-2-yloxy)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)=CC(C)Oc1cc(Nc2nccs2)ccc1Cl
InChIInChI=1S/C15H17ClN2OS/c1-10(2)8-11(3)19-14-9-12(4-5-13(14)16)18-15-17-6-7-20-15/h4-9,11H,1-3H3,(H,17,18)
InChIKeyJXUUFUPOGIXASW-UHFFFAOYSA-N
XLogP5.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.83
LogP ≤ 55.27
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-[4-chloro-3-(4-methylpent-3-en-2-yloxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-chloro-3-(4-methylpent-3-en-2-yloxy)phenyl]-1,3-thiazol-2-amine (CID 86645046) is N-[4-chloro-3-(4-methylpent-3-en-2-yloxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-chloro-3-(4-methylpent-3-en-2-yloxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-chloro-3-(4-methylpent-3-en-2-yloxy)phenyl]-1,3-thiazol-2-amine is CC(C)=CC(C)Oc1cc(Nc2nccs2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(4-methylpent-3-en-2-yloxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is JXUUFUPOGIXASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-10(2)8-11(3)19-14-9-12(4-5-13(14)16)18-15-17-6-7-20-15/h4-9,11H,1-3H3,(H,17,18).
What are the key properties of N-[4-chloro-3-(4-methylpent-3-en-2-yloxy)phenyl]-1,3-thiazol-2-amine?
N-[4-chloro-3-(4-methylpent-3-en-2-yloxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 308.83 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(4-methylpent-3-en-2-yloxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86645046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).