N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide

C16H19N3OS — CID 50960994

IUPACN-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(C1CCCN1)N(Cc1ccccc1)Cc1nccs1
InChIInChI=1S/C16H19N3OS/c20-16(14-7-4-8-17-14)19(12-15-18-9-10-21-15)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,14,17H,4,7-8,11-12H2
InChIKeyLDTHUHXEEAYEGA-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.42
Rot. Bonds5

About N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide

N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 50960994) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID50960994
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(C1CCCN1)N(Cc1ccccc1)Cc1nccs1
InChIInChI=1S/C16H19N3OS/c20-16(14-7-4-8-17-14)19(12-15-18-9-10-21-15)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,14,17H,4,7-8,11-12H2
InChIKeyLDTHUHXEEAYEGA-UHFFFAOYSA-N
XLogP2.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
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N-cyclopentyl-2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
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(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide
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CID 42780816
N,N-dibenzyl-3-methylpiperidine-2-carboxamide
CID 130158118
1-benzyl-3-(1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea
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N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 46992210
N,N-bis(thiophen-2-ylmethyl)piperidine-2-carboxamide
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N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
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N-benzyl-N-cyclopropylpiperidine-2-carboxamide
CID 43579225

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide (CID 50960994) is N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(C1CCCN1)N(Cc1ccccc1)Cc1nccs1.
What is the InChIKey of N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is LDTHUHXEEAYEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(14-7-4-8-17-14)19(12-15-18-9-10-21-15)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,14,17H,4,7-8,11-12H2.
What are the key properties of N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide?
N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 50960994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).