3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide

C19H23N3O2S — CID 95709175

IUPAC3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCCc1nc(C)sc1C(=O)N1CC[C@H](Cc2cccc(C(N)=O)c2)C1
InChIInChI=1S/C19H23N3O2S/c1-3-16-17(25-12(2)21-16)19(24)22-8-7-14(11-22)9-13-5-4-6-15(10-13)18(20)23/h4-6,10,14H,3,7-9,11H2,1-2H3,(H2,20,23)/t14-/m1/s1
InChIKeyUBHQYNUIWSVKHH-CQSZACIVSA-N
MW357.48 g/mol
LogP2.82
Rot. Bonds5

About 3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide

3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 95709175) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID95709175
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCCc1nc(C)sc1C(=O)N1CC[C@H](Cc2cccc(C(N)=O)c2)C1
InChIInChI=1S/C19H23N3O2S/c1-3-16-17(25-12(2)21-16)19(24)22-8-7-14(11-22)9-13-5-4-6-15(10-13)18(20)23/h4-6,10,14H,3,7-9,11H2,1-2H3,(H2,20,23)/t14-/m1/s1
InChIKeyUBHQYNUIWSVKHH-CQSZACIVSA-N
XLogP2.82
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[(1-butanoylpyrrolidin-3-yl)methyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide (CID 95709175) is 3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide is CCc1nc(C)sc1C(=O)N1CC[C@H](Cc2cccc(C(N)=O)c2)C1.
What is the InChIKey of 3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is UBHQYNUIWSVKHH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-3-16-17(25-12(2)21-16)19(24)22-8-7-14(11-22)9-13-5-4-6-15(10-13)18(20)23/h4-6,10,14H,3,7-9,11H2,1-2H3,(H2,20,23)/t14-/m1/s1.
What are the key properties of 3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 357.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95709175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).