N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-imidazol-1-ylpropan-1-amine

C17H24N4O2S — CID 75382338

IUPACN-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-imidazol-1-ylpropan-1-amine
SMILESCC(NCCCn1ccnc1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H24N4O2S/c1-15(19-8-2-10-20-12-9-18-14-20)16-4-6-17(7-5-16)21-11-3-13-24(21,22)23/h4-7,9,12,14-15,19H,2-3,8,10-11,13H2,1H3
InChIKeyIGTIPLQXNHUHCN-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.16
Rot. Bonds7

About N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-imidazol-1-ylpropan-1-amine

N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 75382338) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID75382338
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-imidazol-1-ylpropan-1-amine
SMILESCC(NCCCn1ccnc1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H24N4O2S/c1-15(19-8-2-10-20-12-9-18-14-20)16-4-6-17(7-5-16)21-11-3-13-24(21,22)23/h4-7,9,12,14-15,19H,2-3,8,10-11,13H2,1H3
InChIKeyIGTIPLQXNHUHCN-UHFFFAOYSA-N
XLogP2.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(Cyclohexylidene-1H-imidazol-5-ylmethyl)phenyl]ethanesulfonamide
CID 6603710
1-(3-(1H-imidazol-1-yl)propyl)-3-(4-ethylphenyl)thiourea
CID 6539184
US9656955, Example 652
CID 86295441
N-(3-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl)propane-1-sulfonamide
CID 7151317
Abt-866
CID 9838192
N-benzyl-N-[2-[4-cyano-N-[(3-methylimidazol-4-yl)methyl]anilino]ethyl]propane-1-sulfonamide
CID 49781661
US9656955, Example 327
CID 86296289
3-[[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]amino]benzonitrile
CID 86296489
4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 90404317
1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylphenyl)-4-phenylpyrrolidin-3-amine
CID 90404564
1-(1-methylimidazol-4-yl)sulfonyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 90404846
1-(1-methylimidazol-4-yl)sulfonyl-N,4-diphenylpyrrolidin-3-amine
CID 90404972

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-imidazol-1-ylpropan-1-amine (CID 75382338) is N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-imidazol-1-ylpropan-1-amine is CC(NCCCn1ccnc1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is IGTIPLQXNHUHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-15(19-8-2-10-20-12-9-18-14-20)16-4-6-17(7-5-16)21-11-3-13-24(21,22)23/h4-7,9,12,14-15,19H,2-3,8,10-11,13H2,1H3.
What are the key properties of N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-imidazol-1-ylpropan-1-amine?
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 348.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 75382338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).