[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone

C14H10Cl3NOS2 — CID 122329430

IUPAC[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C14H10Cl3NOS2/c15-10-4-2-1-3-8(10)14-18(5-6-20-14)13(19)9-7-11(16)21-12(9)17/h1-4,7,14H,5-6H2
InChIKeyRNLILLAIDPGITI-UHFFFAOYSA-N
MW378.73 g/mol
LogP5.60
Rot. Bonds2

About [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone

[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 122329430) has the molecular formula C14H10Cl3NOS2 and a molecular weight of 378.73 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID122329430
Molecular FormulaC14H10Cl3NOS2
Molecular Weight378.73 g/mol
Exact Mass376.93
IUPAC Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C14H10Cl3NOS2/c15-10-4-2-1-3-8(10)14-18(5-6-20-14)13(19)9-7-11(16)21-12(9)17/h1-4,7,14H,5-6H2
InChIKeyRNLILLAIDPGITI-UHFFFAOYSA-N
XLogP5.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.73
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone
CID 122329376
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone
CID 122329440
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122329401
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122329357
(2-chlorophenyl)-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 7397507
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 46125544
[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7396529
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 122329422
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone
CID 122329340
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 122329384
(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 122329427
(E)-1-[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one
CID 122329426

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone (CID 122329430) is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone is O=C(c1cc(Cl)sc1Cl)N1CCSC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is RNLILLAIDPGITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NOS2/c15-10-4-2-1-3-8(10)14-18(5-6-20-14)13(19)9-7-11(16)21-12(9)17/h1-4,7,14H,5-6H2.
What are the key properties of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone?
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone has a molecular weight of 378.73 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 122329430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).