5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide

C14H12ClN3O3S — CID 57187690

IUPAC5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCC(=O)N1CCSC1=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C14H12ClN3O3S/c15-9-1-2-10-8(5-9)6-11(17-10)13(20)16-7-12(19)18-3-4-22-14(18)21/h1-2,5-6,17H,3-4,7H2,(H,16,20)
InChIKeyRYVSLBWPTNOTGV-UHFFFAOYSA-N
MW337.79 g/mol
LogP2.25
Rot. Bonds3

About 5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide

5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 57187690) has the molecular formula C14H12ClN3O3S and a molecular weight of 337.79 g/mol. Its IUPAC name is 5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID57187690
Molecular FormulaC14H12ClN3O3S
Molecular Weight337.79 g/mol
Exact Mass337.03
IUPAC Name5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCC(=O)N1CCSC1=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C14H12ClN3O3S/c15-9-1-2-10-8(5-9)6-11(17-10)13(20)16-7-12(19)18-3-4-22-14(18)21/h1-2,5-6,17H,3-4,7H2,(H,16,20)
InChIKeyRYVSLBWPTNOTGV-UHFFFAOYSA-N
XLogP2.25
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 38631225
5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane
CID 144935836
methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide
CID 51114529
N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]-N,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 54587184
5-chloro-1H-indole-2-carboxylate
CID 6933350
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921201
5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 134002903
5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 10237241
N-[2-[5-[2-[(2,5-dichlorophenyl)sulfanylamino]acetyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-oxoethyl]-5-fluoro-1H-indole-2-carboxamide
CID 143861502

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide (CID 57187690) is 5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide is O=C(NCC(=O)N1CCSC1=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is RYVSLBWPTNOTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S/c15-9-1-2-10-8(5-9)6-11(17-10)13(20)16-7-12(19)18-3-4-22-14(18)21/h1-2,5-6,17H,3-4,7H2,(H,16,20).
What are the key properties of 5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 337.79 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 57187690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).