(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone

C21H18N2OS — CID 42780998

IUPAC(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCSC1c1ccncc1
InChIInChI=1S/C21H18N2OS/c24-20(23-14-15-25-21(23)19-10-12-22-13-11-19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,21H,14-15H2
InChIKeyAARQTHWYDPAGCD-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.64
Rot. Bonds3

About (4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone

(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone (PubChem CID 42780998) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is (4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone
PubChem CID42780998
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCSC1c1ccncc1
InChIInChI=1S/C21H18N2OS/c24-20(23-14-15-25-21(23)19-10-12-22-13-11-19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,21H,14-15H2
InChIKeyAARQTHWYDPAGCD-UHFFFAOYSA-N
XLogP4.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylphenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone
CID 4129927
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 7482279
(4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5079470
[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 93114995
[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 42665419
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122331396
[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 4058369
3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one
CID 815330
[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
CID 122329030
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
CID 122331421
(2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122329188
(2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
CID 122329222

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone (CID 42780998) is (4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCSC1c1ccncc1.
What is the InChIKey of (4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is AARQTHWYDPAGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c24-20(23-14-15-25-21(23)19-10-12-22-13-11-19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,21H,14-15H2.
What are the key properties of (4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone?
(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 346.46 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 42780998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).