tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate

C23H25N3O3S — CID 57053887

IUPACtert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)C1CSC(c2cccnc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C23H25N3O3S/c1-14-19(16-9-5-6-10-17(16)25-14)20(27)18-13-30-21(15-8-7-11-24-12-15)26(18)22(28)29-23(2,3)4/h5-12,18,21,25H,13H2,1-4H3
InChIKeySEDMEJDLPQYOBG-UHFFFAOYSA-N
MW423.54 g/mol
LogP5.11
Rot. Bonds3

About tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate

tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate (PubChem CID 57053887) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate
PubChem CID57053887
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Nametert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)C1CSC(c2cccnc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C23H25N3O3S/c1-14-19(16-9-5-6-10-17(16)25-14)20(27)18-13-30-21(15-8-7-11-24-12-15)26(18)22(28)29-23(2,3)4/h5-12,18,21,25H,13H2,1-4H3
InChIKeySEDMEJDLPQYOBG-UHFFFAOYSA-N
XLogP5.11
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.54
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl (4R)-2-pyridin-3-yl-4-[[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 10460844
4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde
CID 57278302
tert-butyl 3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxylate
CID 67834234
(2R,4R)-3-phenylmethoxycarbonyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid
CID 68804126
(2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
CID 10246465
(2,5-dimethyl-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone
CID 57113167
(2R,4S)-2-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 1096419
2-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 4562858
acetic acid;3-acetyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid
CID 67943827
tert-butyl 4-[3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propylcarbamoyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate
CID 67902191
tert-butyl 4-[(5-phenylmethoxyindol-1-yl)methyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate
CID 67915000
[4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110802927

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate (CID 57053887) is tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate is Cc1[nH]c2ccccc2c1C(=O)C1CSC(c2cccnc2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate?
The InChIKey is SEDMEJDLPQYOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-14-19(16-9-5-6-10-17(16)25-14)20(27)18-13-30-21(15-8-7-11-24-12-15)26(18)22(28)29-23(2,3)4/h5-12,18,21,25H,13H2,1-4H3.
What are the key properties of tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate?
tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate has a molecular weight of 423.54 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 57053887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).