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

C15H17ClN2OS — CID 15956109

IUPACN-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]-1,3-thiazol-2-amine
SMILESCC/C(C)=C\COc1cc(Nc2nccs2)ccc1Cl
InChIInChI=1S/C15H17ClN2OS/c1-3-11(2)6-8-19-14-10-12(4-5-13(14)16)18-15-17-7-9-20-15/h4-7,9-10H,3,8H2,1-2H3,(H,17,18)/b11-6-
InChIKeyXENXASSDWFNRRT-WDZFZDKYSA-N
MW308.83 g/mol
LogP5.28
Rot. Bonds6

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

N-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]-1,3-thiazol-2-amine (PubChem CID 15956109) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]-1,3-thiazol-2-amine
PubChem CID15956109
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]-1,3-thiazol-2-amine
SMILESCC/C(C)=C\COc1cc(Nc2nccs2)ccc1Cl
InChIInChI=1S/C15H17ClN2OS/c1-3-11(2)6-8-19-14-10-12(4-5-13(14)16)18-15-17-7-9-20-15/h4-7,9-10H,3,8H2,1-2H3,(H,17,18)/b11-6-
InChIKeyXENXASSDWFNRRT-WDZFZDKYSA-N
XLogP5.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.83
LogP ≤ 55.28
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-[(Z)-3-methylpent-2-enoxy]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]-1,3-thiazol-2-amine (CID 15956109) is N-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]-1,3-thiazol-2-amine is CC/C(C)=C\COc1cc(Nc2nccs2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]-1,3-thiazol-2-amine?
The InChIKey is XENXASSDWFNRRT-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-3-11(2)6-8-19-14-10-12(4-5-13(14)16)18-15-17-7-9-20-15/h4-7,9-10H,3,8H2,1-2H3,(H,17,18)/b11-6-.
What are the key properties of N-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]-1,3-thiazol-2-amine?
N-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]-1,3-thiazol-2-amine has a molecular weight of 308.83 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 15956109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).