N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine

C21H26N2O2S — CID 126827114

IUPACN-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine
SMILESCC(NCc1ccc(C2CC2)cc1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C21H26N2O2S/c1-16(22-15-17-6-8-18(9-7-17)19-10-11-19)20-4-2-5-21(14-20)23-12-3-13-26(23,24)25/h2,4-9,14,16,19,22H,3,10-13,15H2,1H3
InChIKeyFHXWOVBPTDRTIW-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.95
Rot. Bonds6

About N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine

N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine (PubChem CID 126827114) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine
PubChem CID126827114
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine
SMILESCC(NCc1ccc(C2CC2)cc1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C21H26N2O2S/c1-16(22-15-17-6-8-18(9-7-17)19-10-11-19)20-4-2-5-21(14-20)23-12-3-13-26(23,24)25/h2,4-9,14,16,19,22H,3,10-13,15H2,1H3
InChIKeyFHXWOVBPTDRTIW-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine with MolForge

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Related Compounds

1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(thiolan-2-ylmethyl)ethanamine
CID 84589128
N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine
CID 116814547
1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79978825
3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol
CID 79978926
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine
CID 81351295
(1R)-1-(2-tert-butylsulfanylphenyl)-N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]ethanamine
CID 100621553
(1S)-1-(2-tert-butylsulfanylphenyl)-N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]ethanamine
CID 100621536
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-methyl-3-phenylbutan-2-amine
CID 126779035
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171891200
5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 166251739
N-[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-N-methylacetamide
CID 146128516
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine (CID 126827114) is N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine is CC(NCc1ccc(C2CC2)cc1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine?
The InChIKey is FHXWOVBPTDRTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-16(22-15-17-6-8-18(9-7-17)19-10-11-19)20-4-2-5-21(14-20)23-12-3-13-26(23,24)25/h2,4-9,14,16,19,22H,3,10-13,15H2,1H3.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine?
N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine has a molecular weight of 370.52 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine is sourced from PubChem (CID 126827114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).