(3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one

C19H13ClN2OS — CID 18279198

IUPAC(3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one
SMILESCN1C(=O)/C(=C\c2csc(-c3ccc(Cl)cc3)n2)c2ccccc21
InChIInChI=1S/C19H13ClN2OS/c1-22-17-5-3-2-4-15(17)16(19(22)23)10-14-11-24-18(21-14)12-6-8-13(20)9-7-12/h2-11H,1H3/b16-10-
InChIKeyDJSRNMFBRNBGJW-YBEGLDIGSA-N
MW352.85 g/mol
LogP4.98
Rot. Bonds2

About (3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one

(3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one (PubChem CID 18279198) has the molecular formula C19H13ClN2OS and a molecular weight of 352.85 g/mol. Its IUPAC name is (3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one
PubChem CID18279198
Molecular FormulaC19H13ClN2OS
Molecular Weight352.85 g/mol
Exact Mass352.04
IUPAC Name(3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one
SMILESCN1C(=O)/C(=C\c2csc(-c3ccc(Cl)cc3)n2)c2ccccc21
InChIInChI=1S/C19H13ClN2OS/c1-22-17-5-3-2-4-15(17)16(19(22)23)10-14-11-24-18(21-14)12-6-8-13(20)9-7-12/h2-11H,1H3/b16-10-
InChIKeyDJSRNMFBRNBGJW-YBEGLDIGSA-N
XLogP4.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 39973884
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione
CID 17467522
2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 2115215
1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one
CID 4209070
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one
CID 18281605
3-ethylidene-1-methylindol-2-one
CID 85157103
(5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 27718634
(3E)-1-methyl-3-propylideneindol-2-one
CID 58101344
3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one
CID 964242
(3E)-3-[(2-hydroxyphenyl)methylidene]-1-methylindol-2-one
CID 139193133
2-[(4E)-4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylidene]-1,3-dioxoisoquinolin-2-yl]acetic acid
CID 39967011
(3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one
CID 59842927

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one?
The IUPAC name of (3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one (CID 18279198) is (3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one.
What is the SMILES notation for (3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one?
The canonical SMILES for (3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one is CN1C(=O)/C(=C\c2csc(-c3ccc(Cl)cc3)n2)c2ccccc21.
What is the InChIKey of (3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one?
The InChIKey is DJSRNMFBRNBGJW-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H13ClN2OS/c1-22-17-5-3-2-4-15(17)16(19(22)23)10-14-11-24-18(21-14)12-6-8-13(20)9-7-12/h2-11H,1H3/b16-10-.
What are the key properties of (3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one?
(3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one has a molecular weight of 352.85 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one is sourced from PubChem (CID 18279198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).