3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine

C15H17ClN2S — CID 63280117

IUPAC3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine
SMILESCc1ncsc1CNC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H17ClN2S/c1-10-15(19-9-18-10)8-17-14-6-12(7-14)11-3-2-4-13(16)5-11/h2-5,9,12,14,17H,6-8H2,1H3
InChIKeyKLXHMQHFXJWELR-UHFFFAOYSA-N
MW292.84 g/mol
LogP4.14
Rot. Bonds4

About 3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine

3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine (PubChem CID 63280117) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine
PubChem CID63280117
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine
SMILESCc1ncsc1CNC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H17ClN2S/c1-10-15(19-9-18-10)8-17-14-6-12(7-14)11-3-2-4-13(16)5-11/h2-5,9,12,14,17H,6-8H2,1H3
InChIKeyKLXHMQHFXJWELR-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine (CID 63280117) is 3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine is Cc1ncsc1CNC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine?
The InChIKey is KLXHMQHFXJWELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-10-15(19-9-18-10)8-17-14-6-12(7-14)11-3-2-4-13(16)5-11/h2-5,9,12,14,17H,6-8H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine?
3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine has a molecular weight of 292.84 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 63280117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).