(3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C19H25N3O2S — CID 35213960

IUPAC(3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESC[C@]12CCC(=O)N1[C@H](C(=O)NC[C@@H]1CCN(c3ccccc3)C1)CS2
InChIInChI=1S/C19H25N3O2S/c1-19-9-7-17(23)22(19)16(13-25-19)18(24)20-11-14-8-10-21(12-14)15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3,(H,20,24)/t14-,16-,19-/m0/s1
InChIKeyVMSWFRNJECMQJZ-QOKNQOGYSA-N
MW359.50 g/mol
LogP2.08
Rot. Bonds4

About (3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

(3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 35213960) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name(3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID35213960
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name(3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESC[C@]12CCC(=O)N1[C@H](C(=O)NC[C@@H]1CCN(c3ccccc3)C1)CS2
InChIInChI=1S/C19H25N3O2S/c1-19-9-7-17(23)22(19)16(13-25-19)18(24)20-11-14-8-10-21(12-14)15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3,(H,20,24)/t14-,16-,19-/m0/s1
InChIKeyVMSWFRNJECMQJZ-QOKNQOGYSA-N
XLogP2.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-hydroxycyclobutyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 66005554
(3R,7aS)-7a-methyl-5-oxo-N-propyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 94330442
(3R,7aS)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 51535684
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 115362376
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
N-(2,2-difluoro-3-hydroxypropyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 104858111
N-(2-ethyl-6-methylphenyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 42998581
(2S)-1-(2-methylpropyl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidine-2-carboxamide
CID 124824586
1-(2-methylpropyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 51125431
N-[2-(4-methoxyphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 42999121
N-(3-hydroxy-4-methoxybutyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 103876724
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578

Frequently Asked Questions

What is the IUPAC name of (3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of (3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 35213960) is (3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for (3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for (3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is C[C@]12CCC(=O)N1[C@H](C(=O)NC[C@@H]1CCN(c3ccccc3)C1)CS2.
What is the InChIKey of (3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is VMSWFRNJECMQJZ-QOKNQOGYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-19-9-7-17(23)22(19)16(13-25-19)18(24)20-11-14-8-10-21(12-14)15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3,(H,20,24)/t14-,16-,19-/m0/s1.
What are the key properties of (3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
(3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7aS)-7a-methyl-5-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 35213960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).