N-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine

C11H17ClN2S — CID 102860547

IUPACN-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine
SMILESClCCCN(Cc1cncs1)C1CCC1
InChIInChI=1S/C11H17ClN2S/c12-5-2-6-14(10-3-1-4-10)8-11-7-13-9-15-11/h7,9-10H,1-6,8H2
InChIKeyZOAXMLBMQXOKMO-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.13
Rot. Bonds6

About N-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine

N-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine (PubChem CID 102860547) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine
PubChem CID102860547
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC NameN-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine
SMILESClCCCN(Cc1cncs1)C1CCC1
InChIInChI=1S/C11H17ClN2S/c12-5-2-6-14(10-3-1-4-10)8-11-7-13-9-15-11/h7,9-10H,1-6,8H2
InChIKeyZOAXMLBMQXOKMO-UHFFFAOYSA-N
XLogP3.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine?
The IUPAC name of N-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine (CID 102860547) is N-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine.
What is the SMILES notation for N-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine?
The canonical SMILES for N-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine is ClCCCN(Cc1cncs1)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine?
The InChIKey is ZOAXMLBMQXOKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c12-5-2-6-14(10-3-1-4-10)8-11-7-13-9-15-11/h7,9-10H,1-6,8H2.
What are the key properties of N-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine?
N-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine has a molecular weight of 244.79 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine is sourced from PubChem (CID 102860547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).