3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine

C16H19BrN2S — CID 63238923

IUPAC3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCc1csc(CCNC2CC(c3ccc(Br)cc3)C2)n1
InChIInChI=1S/C16H19BrN2S/c1-11-10-20-16(19-11)6-7-18-15-8-13(9-15)12-2-4-14(17)5-3-12/h2-5,10,13,15,18H,6-9H2,1H3
InChIKeySTHGIJBLGNASKB-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.29
Rot. Bonds5

About 3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine

3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 63238923) has the molecular formula C16H19BrN2S and a molecular weight of 351.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
PubChem CID63238923
Molecular FormulaC16H19BrN2S
Molecular Weight351.31 g/mol
Exact Mass350.05
IUPAC Name3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCc1csc(CCNC2CC(c3ccc(Br)cc3)C2)n1
InChIInChI=1S/C16H19BrN2S/c1-11-10-20-16(19-11)6-7-18-15-8-13(9-15)12-2-4-14(17)5-3-12/h2-5,10,13,15,18H,6-9H2,1H3
InChIKeySTHGIJBLGNASKB-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine (CID 63238923) is 3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine is Cc1csc(CCNC2CC(c3ccc(Br)cc3)C2)n1.
What is the InChIKey of 3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is STHGIJBLGNASKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2S/c1-11-10-20-16(19-11)6-7-18-15-8-13(9-15)12-2-4-14(17)5-3-12/h2-5,10,13,15,18H,6-9H2,1H3.
What are the key properties of 3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 351.31 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 63238923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).