(4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide

C21H18N4O2S — CID 97232814

IUPAC(4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H18N4O2S/c26-20(24-18-7-3-6-17-14(18)8-9-22-17)19-11-28-12-25(19)21(27)15-10-23-16-5-2-1-4-13(15)16/h1-10,19,22-23H,11-12H2,(H,24,26)/t19-/m0/s1
InChIKeyOXRRAOZXGZJUPW-IBGZPJMESA-N
MW390.47 g/mol
LogP3.80
Rot. Bonds3

About (4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide

(4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 97232814) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is (4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID97232814
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name(4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H18N4O2S/c26-20(24-18-7-3-6-17-14(18)8-9-22-17)19-11-28-12-25(19)21(27)15-10-23-16-5-2-1-4-13(15)16/h1-10,19,22-23H,11-12H2,(H,24,26)/t19-/m0/s1
InChIKeyOXRRAOZXGZJUPW-IBGZPJMESA-N
XLogP3.80
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 94666381
(4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 52504300
3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237232
(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
(4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 124742587
4-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]-methylamino]butanoic acid
CID 119173088
[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-[(4R)-3-(1H-indole-3-carbonyl)-1,3-thiazolidin-4-yl]methanone
CID 95781331
(3R)-N-(1H-indol-4-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 94797600
N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
CID 90511828
(4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 97067644
(4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95154769
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide (CID 97232814) is (4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide is O=C(Nc1cccc2[nH]ccc12)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of (4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is OXRRAOZXGZJUPW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H18N4O2S/c26-20(24-18-7-3-6-17-14(18)8-9-22-17)19-11-28-12-25(19)21(27)15-10-23-16-5-2-1-4-13(15)16/h1-10,19,22-23H,11-12H2,(H,24,26)/t19-/m0/s1.
What are the key properties of (4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide?
(4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97232814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).