N-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

C17H20N2OS — CID 84589025

IUPACN-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESc1ccc2c(c1)OC1(CCC1)CC2NCCc1cscn1
InChIInChI=1S/C17H20N2OS/c1-2-5-16-14(4-1)15(10-17(20-16)7-3-8-17)18-9-6-13-11-21-12-19-13/h1-2,4-5,11-12,15,18H,3,6-10H2
InChIKeyRPNJOXYCUKRWKE-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.72
Rot. Bonds4

About N-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

N-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (PubChem CID 84589025) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
PubChem CID84589025
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESc1ccc2c(c1)OC1(CCC1)CC2NCCc1cscn1
InChIInChI=1S/C17H20N2OS/c1-2-5-16-14(4-1)15(10-17(20-16)7-3-8-17)18-9-6-13-11-21-12-19-13/h1-2,4-5,11-12,15,18H,3,6-10H2
InChIKeyRPNJOXYCUKRWKE-UHFFFAOYSA-N
XLogP3.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (CID 84589025) is N-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The canonical SMILES for N-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is c1ccc2c(c1)OC1(CCC1)CC2NCCc1cscn1.
What is the InChIKey of N-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The InChIKey is RPNJOXYCUKRWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-5-16-14(4-1)15(10-17(20-16)7-3-8-17)18-9-6-13-11-21-12-19-13/h1-2,4-5,11-12,15,18H,3,6-10H2.
What are the key properties of N-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
N-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine has a molecular weight of 300.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is sourced from PubChem (CID 84589025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).