(5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

C20H11ClF3N3OS — CID 135539043

IUPAC(5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(C(F)(F)F)cc2Cl)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C20H11ClF3N3OS/c21-14-10-13(20(22,23)24)4-6-16(14)26-19-27-18(28)17(29-19)9-11-3-5-15-12(8-11)2-1-7-25-15/h1-10H,(H,26,27,28)/b17-9-
InChIKeyYWCUQXVCWZJPFY-MFOYZWKCSA-N
MW433.84 g/mol
LogP5.80
Rot. Bonds2

About (5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135539043) has the molecular formula C20H11ClF3N3OS and a molecular weight of 433.84 g/mol. Its IUPAC name is (5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135539043
Molecular FormulaC20H11ClF3N3OS
Molecular Weight433.84 g/mol
Exact Mass433.03
IUPAC Name(5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(C(F)(F)F)cc2Cl)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C20H11ClF3N3OS/c21-14-10-13(20(22,23)24)4-6-16(14)26-19-27-18(28)17(29-19)9-11-3-5-15-12(8-11)2-1-7-25-15/h1-10H,(H,26,27,28)/b17-9-
InChIKeyYWCUQXVCWZJPFY-MFOYZWKCSA-N
XLogP5.80
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.84
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

ROCHE screening, 66
CID 135407456
ROCHE screening, 64
CID 135475857
(Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinolin-6-ylmethylene)thiazol-4(5H)-one
CID 135611170
ROCHE screening, 68
CID 135950082
Gsk-626616
CID 135416229
ROCHE screening, 69
CID 135950077
ROCHE screening, 67
CID 135950079
Sdccgrch-0000125.P001
CID 135495115
Sdccgrch-0000205.P001
CID 135950076
(5Z)-2-amino-5-(quinolin-6-ylmethylidene)-1,3-thiazol-4-one
CID 137629708
(5Z)-2-(5-amino-2-chlorophenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136059507
(5Z)-2-[(2-bromophenyl)amino]-5-(6-quinolinylmethylidene)-1,3-thiazol-4(5H)-one
CID 136059521

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135539043) is (5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(C(F)(F)F)cc2Cl)S/C1=C\c1ccc2ncccc2c1.
What is the InChIKey of (5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is YWCUQXVCWZJPFY-MFOYZWKCSA-N. The full InChI is InChI=1S/C20H11ClF3N3OS/c21-14-10-13(20(22,23)24)4-6-16(14)26-19-27-18(28)17(29-19)9-11-3-5-15-12(8-11)2-1-7-25-15/h1-10H,(H,26,27,28)/b17-9-.
What are the key properties of (5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 433.84 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135539043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).