(4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide

C18H21N3O2S — CID 97211441

IUPAC(4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN(C(=O)[C@@H]1CSCN1C(=O)Cc1c[nH]c2ccccc12)C1CC1
InChIInChI=1S/C18H21N3O2S/c1-20(13-6-7-13)18(23)16-10-24-11-21(16)17(22)8-12-9-19-15-5-3-2-4-14(12)15/h2-5,9,13,16,19H,6-8,10-11H2,1H3/t16-/m0/s1
InChIKeyZZXHOIGMPNEREX-INIZCTEOSA-N
MW343.45 g/mol
LogP2.23
Rot. Bonds4

About (4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide

(4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 97211441) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID97211441
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN(C(=O)[C@@H]1CSCN1C(=O)Cc1c[nH]c2ccccc12)C1CC1
InChIInChI=1S/C18H21N3O2S/c1-20(13-6-7-13)18(23)16-10-24-11-21(16)17(22)8-12-9-19-15-5-3-2-4-14(12)15/h2-5,9,13,16,19H,6-8,10-11H2,1H3/t16-/m0/s1
InChIKeyZZXHOIGMPNEREX-INIZCTEOSA-N
XLogP2.23
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
(4R)-N-cyclopropyl-N-methyl-3-[2-(3-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 124607381
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
4-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]-methylamino]butanoic acid
CID 119173088
(2R)-2-amino-N-cyclopropyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 104910757
[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-[(4R)-3-(1H-indole-3-carbonyl)-1,3-thiazolidin-4-yl]methanone
CID 95781331
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
1-(4-amino-2-methylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 115312222
N-[2-(1H-indol-3-yl)ethyl]-N-methylcyclopentanecarboxamide
CID 110733076
(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 95196011
2-(1H-indol-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 115316334
2-[acetyl(cyclopropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113158350

Frequently Asked Questions

What is the IUPAC name of (4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide (CID 97211441) is (4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide is CN(C(=O)[C@@H]1CSCN1C(=O)Cc1c[nH]c2ccccc12)C1CC1.
What is the InChIKey of (4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZZXHOIGMPNEREX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-20(13-6-7-13)18(23)16-10-24-11-21(16)17(22)8-12-9-19-15-5-3-2-4-14(12)15/h2-5,9,13,16,19H,6-8,10-11H2,1H3/t16-/m0/s1.
What are the key properties of (4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
(4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-cyclopropyl-3-[2-(1H-indol-3-yl)acetyl]-N-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97211441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).