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

C14H15ClN2OS — CID 15956092

IUPACN-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)=CCOc1cc(Nc2nccs2)ccc1Cl
InChIInChI=1S/C14H15ClN2OS/c1-10(2)5-7-18-13-9-11(3-4-12(13)15)17-14-16-6-8-19-14/h3-6,8-9H,7H2,1-2H3,(H,16,17)
InChIKeyUHBCANCRLOZSNP-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.89
Rot. Bonds5

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

N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 15956092) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID15956092
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)=CCOc1cc(Nc2nccs2)ccc1Cl
InChIInChI=1S/C14H15ClN2OS/c1-10(2)5-7-18-13-9-11(3-4-12(13)15)17-14-16-6-8-19-14/h3-6,8-9H,7H2,1-2H3,(H,16,17)
InChIKeyUHBCANCRLOZSNP-UHFFFAOYSA-N
XLogP4.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.89
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-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine (CID 15956092) is N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine is CC(C)=CCOc1cc(Nc2nccs2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is UHBCANCRLOZSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-10(2)5-7-18-13-9-11(3-4-12(13)15)17-14-16-6-8-19-14/h3-6,8-9H,7H2,1-2H3,(H,16,17).
What are the key properties of N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 294.81 g/mol, XLogP of 4.89, 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-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 15956092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).