N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide

C20H23N3O2S — CID 95711022

IUPACN-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)cs1
InChIInChI=1S/C20H23N3O2S/c1-2-5-18-22-17(12-26-18)20(25)21-15-10-19(24)23(11-15)16-8-13-6-3-4-7-14(13)9-16/h3-4,6-7,12,15-16H,2,5,8-11H2,1H3,(H,21,25)/t15-/m1/s1
InChIKeyVXWYBGUNQGATGN-OAHLLOKOSA-N
MW369.49 g/mol
LogP2.59
Rot. Bonds5

About N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide

N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 95711022) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID95711022
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)cs1
InChIInChI=1S/C20H23N3O2S/c1-2-5-18-22-17(12-26-18)20(25)21-15-10-19(24)23(11-15)16-8-13-6-3-4-7-14(13)9-16/h3-4,6-7,12,15-16H,2,5,8-11H2,1H3,(H,21,25)/t15-/m1/s1
InChIKeyVXWYBGUNQGATGN-OAHLLOKOSA-N
XLogP2.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 25381252
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72893525
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56918583
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-ethylbenzamide
CID 56888956
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 45187421
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 71789232
3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide
CID 45208938
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 45188478
N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 56783188
(4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(2-methyl-6-propylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95727523
methyl 4-[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 45240004
2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide
CID 107842728

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide (CID 95711022) is N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)cs1.
What is the InChIKey of N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is VXWYBGUNQGATGN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-2-5-18-22-17(12-26-18)20(25)21-15-10-19(24)23(11-15)16-8-13-6-3-4-7-14(13)9-16/h3-4,6-7,12,15-16H,2,5,8-11H2,1H3,(H,21,25)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95711022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).