[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate

C19H24F3N3O4S — CID 10275489

IUPAC[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate
SMILESNC(C(=O)N1CCSC1)C1CCC(OC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H24F3N3O4S/c20-19(21,22)29-15-7-3-13(4-8-15)24-18(27)28-14-5-1-12(2-6-14)16(23)17(26)25-9-10-30-11-25/h3-4,7-8,12,14,16H,1-2,5-6,9-11,23H2,(H,24,27)
InChIKeyNJXIDWWAYSHCDE-UHFFFAOYSA-N
MW447.48 g/mol
LogP3.55
Rot. Bonds5

About [4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate

[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate (PubChem CID 10275489) has the molecular formula C19H24F3N3O4S and a molecular weight of 447.48 g/mol. Its IUPAC name is [4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate.

Molecular Properties

Compound Name[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate
PubChem CID10275489
Molecular FormulaC19H24F3N3O4S
Molecular Weight447.48 g/mol
Exact Mass447.14
IUPAC Name[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate
SMILESNC(C(=O)N1CCSC1)C1CCC(OC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H24F3N3O4S/c20-19(21,22)29-15-7-3-13(4-8-15)24-18(27)28-14-5-1-12(2-6-14)16(23)17(26)25-9-10-30-11-25/h3-4,7-8,12,14,16H,1-2,5-6,9-11,23H2,(H,24,27)
InChIKeyNJXIDWWAYSHCDE-UHFFFAOYSA-N
XLogP3.55
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate with MolForge

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Related Compounds

pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 115565228
piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 115565230
(1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate
CID 53235333
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
ethyl 4-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-1-carboxylate
CID 26289068
N-[4-(trifluoromethoxy)phenyl]thian-4-amine
CID 43511277
1-(4-fluorophenyl)-3-[1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-4-yl]oxyurea
CID 87275446
(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 107224975
3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 24748652
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 51944394
1-(thiomorpholine-4-carbonyl)-5-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxylic acid
CID 58116581

Frequently Asked Questions

What is the IUPAC name of [4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate?
The IUPAC name of [4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate (CID 10275489) is [4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate.
What is the SMILES notation for [4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate?
The canonical SMILES for [4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate is NC(C(=O)N1CCSC1)C1CCC(OC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of [4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate?
The InChIKey is NJXIDWWAYSHCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O4S/c20-19(21,22)29-15-7-3-13(4-8-15)24-18(27)28-14-5-1-12(2-6-14)16(23)17(26)25-9-10-30-11-25/h3-4,7-8,12,14,16H,1-2,5-6,9-11,23H2,(H,24,27).
What are the key properties of [4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate?
[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate has a molecular weight of 447.48 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl] N-[4-(trifluoromethoxy)phenyl]carbamate is sourced from PubChem (CID 10275489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).