(5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one

C19H14ClN3O2S — CID 2199028

IUPAC(5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one
SMILESCN(C1=NC(=O)/C(=C2/C(=O)N(C)c3ccccc32)S1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O2S/c1-22(12-9-7-11(20)8-10-12)19-21-17(24)16(26-19)15-13-5-3-4-6-14(13)23(2)18(15)25/h3-10H,1-2H3/b16-15-
InChIKeyUJJUOAUCUAMGGF-NXVVXOECSA-N
MW383.86 g/mol
LogP3.79
Rot. Bonds1

About (5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one

(5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one (PubChem CID 2199028) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is (5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one
PubChem CID2199028
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC Name(5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one
SMILESCN(C1=NC(=O)/C(=C2/C(=O)N(C)c3ccccc32)S1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O2S/c1-22(12-9-7-11(20)8-10-12)19-21-17(24)16(26-19)15-13-5-3-4-6-14(13)23(2)18(15)25/h3-10H,1-2H3/b16-15-
InChIKeyUJJUOAUCUAMGGF-NXVVXOECSA-N
XLogP3.79
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one (CID 2199028) is (5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one is CN(C1=NC(=O)/C(=C2/C(=O)N(C)c3ccccc32)S1)c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one?
The InChIKey is UJJUOAUCUAMGGF-NXVVXOECSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c1-22(12-9-7-11(20)8-10-12)19-21-17(24)16(26-19)15-13-5-3-4-6-14(13)23(2)18(15)25/h3-10H,1-2H3/b16-15-.
What are the key properties of (5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one?
(5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one has a molecular weight of 383.86 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-chloro-N-methylanilino)-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazol-4-one is sourced from PubChem (CID 2199028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).