2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide

C16H17N3OS — CID 140530514

IUPAC2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide
SMILESNC(=O)C1([C@H](c2ccccc2)c2ccncc2)NCCS1
InChIInChI=1S/C16H17N3OS/c17-15(20)16(19-10-11-21-16)14(12-4-2-1-3-5-12)13-6-8-18-9-7-13/h1-9,14,19H,10-11H2,(H2,17,20)/t14-,16?/m1/s1
InChIKeyXWBJEZDMZFNLDM-IURRXHLWSA-N
MW299.40 g/mol
LogP1.73
Rot. Bonds4

About 2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide

2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide (PubChem CID 140530514) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound Name2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide
PubChem CID140530514
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide
SMILESNC(=O)C1([C@H](c2ccccc2)c2ccncc2)NCCS1
InChIInChI=1S/C16H17N3OS/c17-15(20)16(19-10-11-21-16)14(12-4-2-1-3-5-12)13-6-8-18-9-7-13/h1-9,14,19H,10-11H2,(H2,17,20)/t14-,16?/m1/s1
InChIKeyXWBJEZDMZFNLDM-IURRXHLWSA-N
XLogP1.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride
CID 2761924
(2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide
CID 120634235
2-amino-2-pyridin-4-ylacetic acid;hydrochloride
CID 42614333
4-(1,2-diphenyl-2-pyridin-4-ylethyl)pyridine
CID 12691374
4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride
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1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride
CID 24847582
methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate
CID 10658734
benzamide;pyridine-4-carboxamide
CID 175267661
benzhydryl pyridine-4-carboxylate
CID 891439
2-phenylacetamide;pyridine
CID 22283001
[phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate
CID 75405434
(3R)-N-[(R)-phenyl(pyridin-4-yl)methyl]oxolane-3-carboxamide
CID 95271888

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide?
The IUPAC name of 2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide (CID 140530514) is 2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for 2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for 2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide is NC(=O)C1([C@H](c2ccccc2)c2ccncc2)NCCS1.
What is the InChIKey of 2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide?
The InChIKey is XWBJEZDMZFNLDM-IURRXHLWSA-N. The full InChI is InChI=1S/C16H17N3OS/c17-15(20)16(19-10-11-21-16)14(12-4-2-1-3-5-12)13-6-8-18-9-7-13/h1-9,14,19H,10-11H2,(H2,17,20)/t14-,16?/m1/s1.
What are the key properties of 2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide?
2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-phenyl(pyridin-4-yl)methyl]-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 140530514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).