N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine

C17H22N2S — CID 61192512

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine
SMILESCc1nc(C)c(C(C)NC2CC(c3ccccc3)C2)s1
InChIInChI=1S/C17H22N2S/c1-11-17(20-13(3)18-11)12(2)19-16-9-15(10-16)14-7-5-4-6-8-14/h4-8,12,15-16,19H,9-10H2,1-3H3
InChIKeyYCARVLSLZSZYRW-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.36
Rot. Bonds4

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine (PubChem CID 61192512) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine
PubChem CID61192512
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine
SMILESCc1nc(C)c(C(C)NC2CC(c3ccccc3)C2)s1
InChIInChI=1S/C17H22N2S/c1-11-17(20-13(3)18-11)12(2)19-16-9-15(10-16)14-7-5-4-6-8-14/h4-8,12,15-16,19H,9-10H2,1-3H3
InChIKeyYCARVLSLZSZYRW-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine (CID 61192512) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine is Cc1nc(C)c(C(C)NC2CC(c3ccccc3)C2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine?
The InChIKey is YCARVLSLZSZYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-11-17(20-13(3)18-11)12(2)19-16-9-15(10-16)14-7-5-4-6-8-14/h4-8,12,15-16,19H,9-10H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 61192512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).