N-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C19H19N3OS2 — CID 97249387

IUPACN-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCN1C[C@H](c2ccccc2)[C@H](NC(=O)c2csc(-c3cccs3)n2)C1
InChIInChI=1S/C19H19N3OS2/c1-22-10-14(13-6-3-2-4-7-13)15(11-22)20-18(23)16-12-25-19(21-16)17-8-5-9-24-17/h2-9,12,14-15H,10-11H2,1H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyZOOFMLGSIDJCFD-HUUCEWRRSA-N
MW369.52 g/mol
LogP3.70
Rot. Bonds4

About N-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 97249387) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is N-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID97249387
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC NameN-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCN1C[C@H](c2ccccc2)[C@H](NC(=O)c2csc(-c3cccs3)n2)C1
InChIInChI=1S/C19H19N3OS2/c1-22-10-14(13-6-3-2-4-7-13)15(11-22)20-18(23)16-12-25-19(21-16)17-8-5-9-24-17/h2-9,12,14-15H,10-11H2,1H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyZOOFMLGSIDJCFD-HUUCEWRRSA-N
XLogP3.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386265
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CID 119612343
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 120745042
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N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
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4-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63720117
N-(2-methylbutan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46554707
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 97249387) is N-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CN1C[C@H](c2ccccc2)[C@H](NC(=O)c2csc(-c3cccs3)n2)C1.
What is the InChIKey of N-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZOOFMLGSIDJCFD-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-22-10-14(13-6-3-2-4-7-13)15(11-22)20-18(23)16-12-25-19(21-16)17-8-5-9-24-17/h2-9,12,14-15H,10-11H2,1H3,(H,20,23)/t14-,15-/m1/s1.
What are the key properties of N-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 369.52 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97249387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).