3-formyl-4-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide

C17H21N3O2S — CID 142104763

IUPAC3-formyl-4-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)C1(C)CSCN1C=O
InChIInChI=1S/C17H21N3O2S/c1-12-13(14-5-3-4-6-15(14)19-12)7-8-18-16(22)17(2)9-23-11-20(17)10-21/h3-6,10,19H,7-9,11H2,1-2H3,(H,18,22)
InChIKeyPGJRRBIEKHLASZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.06
Rot. Bonds5

About 3-formyl-4-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide

3-formyl-4-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 142104763) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 3-formyl-4-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-formyl-4-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID142104763
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name3-formyl-4-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)C1(C)CSCN1C=O
InChIInChI=1S/C17H21N3O2S/c1-12-13(14-5-3-4-6-15(14)19-12)7-8-18-16(22)17(2)9-23-11-20(17)10-21/h3-6,10,19H,7-9,11H2,1-2H3,(H,18,22)
InChIKeyPGJRRBIEKHLASZ-UHFFFAOYSA-N
XLogP2.06
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
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2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
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N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
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4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
CID 148932122
(2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate
CID 68572367
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
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2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 111505791

Frequently Asked Questions

What is the IUPAC name of 3-formyl-4-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-formyl-4-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 142104763) is 3-formyl-4-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-formyl-4-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-formyl-4-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)C1(C)CSCN1C=O.
What is the InChIKey of 3-formyl-4-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is PGJRRBIEKHLASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-13(14-5-3-4-6-15(14)19-12)7-8-18-16(22)17(2)9-23-11-20(17)10-21/h3-6,10,19H,7-9,11H2,1-2H3,(H,18,22).
What are the key properties of 3-formyl-4-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
3-formyl-4-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-4-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 142104763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).