1-[5-(3-amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-ol

C13H13ClN2OS — CID 67432003

IUPAC1-[5-(3-amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-ol
SMILESNc1cc(Cl)cc(-c2cnc(C3(O)CCC3)s2)c1
InChIInChI=1S/C13H13ClN2OS/c14-9-4-8(5-10(15)6-9)11-7-16-12(18-11)13(17)2-1-3-13/h4-7,17H,1-3,15H2
InChIKeyKOOJWLWALRNAGJ-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.42
Rot. Bonds2

About 1-[5-(3-amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-ol

1-[5-(3-amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-ol (PubChem CID 67432003) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 1-[5-(3-amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[5-(3-amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-ol
PubChem CID67432003
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name1-[5-(3-amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-ol
SMILESNc1cc(Cl)cc(-c2cnc(C3(O)CCC3)s2)c1
InChIInChI=1S/C13H13ClN2OS/c14-9-4-8(5-10(15)6-9)11-7-16-12(18-11)13(17)2-1-3-13/h4-7,17H,1-3,15H2
InChIKeyKOOJWLWALRNAGJ-UHFFFAOYSA-N
XLogP3.42
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-ol?
The IUPAC name of 1-[5-(3-amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-ol (CID 67432003) is 1-[5-(3-amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[5-(3-amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[5-(3-amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-ol is Nc1cc(Cl)cc(-c2cnc(C3(O)CCC3)s2)c1.
What is the InChIKey of 1-[5-(3-amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-ol?
The InChIKey is KOOJWLWALRNAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c14-9-4-8(5-10(15)6-9)11-7-16-12(18-11)13(17)2-1-3-13/h4-7,17H,1-3,15H2.
What are the key properties of 1-[5-(3-amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-ol?
1-[5-(3-amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-ol has a molecular weight of 280.78 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-amino-5-chlorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-ol is sourced from PubChem (CID 67432003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).