2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one

C14H9ClF3NOS2 — CID 3676066

IUPAC2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)s2)N1Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H9ClF3NOS2/c15-11-2-1-10(22-11)14-19(12(20)6-21-14)5-7-3-8(16)13(18)9(17)4-7/h1-4,14H,5-6H2
InChIKeyLNMHRSIWXJGCKE-UHFFFAOYSA-N
MW363.81 g/mol
LogP4.59
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one

2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3676066) has the molecular formula C14H9ClF3NOS2 and a molecular weight of 363.81 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3676066
Molecular FormulaC14H9ClF3NOS2
Molecular Weight363.81 g/mol
Exact Mass362.98
IUPAC Name2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)s2)N1Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H9ClF3NOS2/c15-11-2-1-10(22-11)14-19(12(20)6-21-14)5-7-3-8(16)13(18)9(17)4-7/h1-4,14H,5-6H2
InChIKeyLNMHRSIWXJGCKE-UHFFFAOYSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4988112
3-[(4-chlorobenzyl)thio]-N-(thien-2-ylmethyl)propanamide
CID 5179108
3-[(3-chlorobenzyl)thio]-N-(thien-2-ylmethyl)propanamide
CID 5057434
3-(4-Fluorobenzyl)-5-(2-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 1231450
2-(2,6-Difluorophenyl)-3-(2-thienylmethyl)thiazolidin-4-one
CID 25058680
2-(2-Chloro-6-fluoro-phenyl)-3-(5-methylthiophen-2-ylmethyl)-thiazolidin-4-one
CID 25058719
2-(2-Chloro-6-fluoro-phenyl)-3-(2-thienylmethyl)thiazolidin-4-one
CID 25058767
2-(2,6-Difluorophenyl)-3-[(5-methyl-2-thienyl)methyl]thiazolidin-4-one
CID 25058769
2-((5-chlorothiophen-2-yl)sulfonyl)-N-(4-fluorobenzyl)acetamide
CID 42100189
2-[(2-chloro-6-fluorophenyl)methylsulfinyl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 42885000
2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 47022774
(5Z)-3-(4-chlorobenzyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1338375

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 3676066) is 2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Cl)s2)N1Cc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is LNMHRSIWXJGCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NOS2/c15-11-2-1-10(22-11)14-19(12(20)6-21-14)5-7-3-8(16)13(18)9(17)4-7/h1-4,14H,5-6H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 363.81 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-3-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3676066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).