(1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine

C17H24N4O2S — CID 97065485

IUPAC(1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
SMILESCc1nccn1-c1ccc([C@H](C)NCCN2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H24N4O2S/c1-14(18-8-11-20-10-3-13-24(20,22)23)16-4-6-17(7-5-16)21-12-9-19-15(21)2/h4-7,9,12,14,18H,3,8,10-11,13H2,1-2H3/t14-/m0/s1
InChIKeyFNTOAFIRFUAELE-AWEZNQCLSA-N
MW348.47 g/mol
LogP1.87
Rot. Bonds6

About (1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine

(1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine (PubChem CID 97065485) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is (1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
PubChem CID97065485
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name(1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
SMILESCc1nccn1-c1ccc([C@H](C)NCCN2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H24N4O2S/c1-14(18-8-11-20-10-3-13-24(20,22)23)16-4-6-17(7-5-16)21-12-9-19-15(21)2/h4-7,9,12,14,18H,3,8,10-11,13H2,1-2H3/t14-/m0/s1
InChIKeyFNTOAFIRFUAELE-AWEZNQCLSA-N
XLogP1.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 97103592
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 97048241
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 97009303
(2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide
CID 99717701
2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide
CID 71857227
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethanol
CID 78941239
1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 71922227
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 97048929
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,3-dimethylbutan-2-amine
CID 115752044
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 75515414
6-ethyl-2-methyl-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrimidin-4-amine
CID 133461751
N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119897640

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine (CID 97065485) is (1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine is Cc1nccn1-c1ccc([C@H](C)NCCN2CCCS2(=O)=O)cc1.
What is the InChIKey of (1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine?
The InChIKey is FNTOAFIRFUAELE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-14(18-8-11-20-10-3-13-24(20,22)23)16-4-6-17(7-5-16)21-12-9-19-15(21)2/h4-7,9,12,14,18H,3,8,10-11,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine?
(1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine has a molecular weight of 348.47 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 97065485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).