N-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide

C15H15N3O2S — CID 166192357

IUPACN-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2cncs2)C1)c1ccccc1
InChIInChI=1S/C15H15N3O2S/c19-14(11-4-2-1-3-5-11)17-12-6-7-18(9-12)15(20)13-8-16-10-21-13/h1-5,8,10,12H,6-7,9H2,(H,17,19)
InChIKeyUPYKNNBXUJVEAD-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.79
Rot. Bonds3

About N-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide

N-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 166192357) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide
PubChem CID166192357
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2cncs2)C1)c1ccccc1
InChIInChI=1S/C15H15N3O2S/c19-14(11-4-2-1-3-5-11)17-12-6-7-18(9-12)15(20)13-8-16-10-21-13/h1-5,8,10,12H,6-7,9H2,(H,17,19)
InChIKeyUPYKNNBXUJVEAD-UHFFFAOYSA-N
XLogP1.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide
CID 42892598
3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
CID 69360185
2-phenyl-3-[4-[[3-(1,3-thiazole-5-carbonylamino)pyrrolidin-1-yl]methyl]phenyl]quinoxaline-6-carboxylic acid
CID 21103138
(4-pyridin-2-ylpiperidin-1-yl)-(1,3-thiazol-5-yl)methanone
CID 95828576
3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 174192999
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide
CID 39698292
methyl N-[(3S)-1-benzoylpyrrolidin-3-yl]carbamate
CID 124575994
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide
CID 155637447
N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 26320170
6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
CID 166070841

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide (CID 166192357) is N-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide is O=C(NC1CCN(C(=O)c2cncs2)C1)c1ccccc1.
What is the InChIKey of N-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is UPYKNNBXUJVEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-14(11-4-2-1-3-5-11)17-12-6-7-18(9-12)15(20)13-8-16-10-21-13/h1-5,8,10,12H,6-7,9H2,(H,17,19).
What are the key properties of N-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide?
N-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide has a molecular weight of 301.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 166192357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).