(4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide

C20H16F3N3O3S — CID 52504300

IUPAC(4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H16F3N3O3S/c21-20(22,23)29-13-5-3-4-12(8-13)25-18(27)17-10-30-11-26(17)19(28)15-9-24-16-7-2-1-6-14(15)16/h1-9,17,24H,10-11H2,(H,25,27)/t17-/m0/s1
InChIKeyRCJLTJGHXBHGFJ-KRWDZBQOSA-N
MW435.43 g/mol
LogP4.22
Rot. Bonds4

About (4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide

(4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 52504300) has the molecular formula C20H16F3N3O3S and a molecular weight of 435.43 g/mol. Its IUPAC name is (4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID52504300
Molecular FormulaC20H16F3N3O3S
Molecular Weight435.43 g/mol
Exact Mass435.09
IUPAC Name(4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H16F3N3O3S/c21-20(22,23)29-13-5-3-4-12(8-13)25-18(27)17-10-30-11-26(17)19(28)15-9-24-16-7-2-1-6-14(15)16/h1-9,17,24H,10-11H2,(H,25,27)/t17-/m0/s1
InChIKeyRCJLTJGHXBHGFJ-KRWDZBQOSA-N
XLogP4.22
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide
CID 97232814
(4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 94666381
3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237232
N-[3-(trifluoromethoxy)phenyl]-1,5-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 75394664
4-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]-methylamino]butanoic acid
CID 119173088
3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55800443
(4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95378663
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
(4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 124742587
[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-[(4R)-3-(1H-indole-3-carbonyl)-1,3-thiazolidin-4-yl]methanone
CID 95781331
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide (CID 52504300) is (4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of (4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is RCJLTJGHXBHGFJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H16F3N3O3S/c21-20(22,23)29-13-5-3-4-12(8-13)25-18(27)17-10-30-11-26(17)19(28)15-9-24-16-7-2-1-6-14(15)16/h1-9,17,24H,10-11H2,(H,25,27)/t17-/m0/s1.
What are the key properties of (4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide?
(4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 435.43 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 52504300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).