(2E)-2-[(1-methylindol-3-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one

C15H13N3OS — CID 6137382

IUPAC(2E)-2-[(1-methylindol-3-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESCn1cc(/C=c2/sc3n(c2=O)CCN=3)c2ccccc21
InChIInChI=1S/C15H13N3OS/c1-17-9-10(11-4-2-3-5-12(11)17)8-13-14(19)18-7-6-16-15(18)20-13/h2-5,8-9H,6-7H2,1H3/b13-8+
InChIKeyISOCDAKEYQCCKK-MDWZMJQESA-N
MW283.36 g/mol
LogP0.86
Rot. Bonds1

About (2E)-2-[(1-methylindol-3-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one

(2E)-2-[(1-methylindol-3-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 6137382) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is (2E)-2-[(1-methylindol-3-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2E)-2-[(1-methylindol-3-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID6137382
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name(2E)-2-[(1-methylindol-3-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESCn1cc(/C=c2/sc3n(c2=O)CCN=3)c2ccccc21
InChIInChI=1S/C15H13N3OS/c1-17-9-10(11-4-2-3-5-12(11)17)8-13-14(19)18-7-6-16-15(18)20-13/h2-5,8-9H,6-7H2,1H3/b13-8+
InChIKeyISOCDAKEYQCCKK-MDWZMJQESA-N
XLogP0.86
TPSA39.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 4515695
(2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 6137347
(2E)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 6384927
(2E)-2-[(2,4-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 760695
(2E)-2-[(4-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 762107
(2Z)-2-[(3-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 6528596
methyl 7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3611734
(5E)-3-methyl-5-[(1-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1250058
(3Z)-3-[(1-methylindol-3-yl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione
CID 6155729
ethyl 5-(4-ethoxyphenyl)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 171132289
2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 2891446
CID 58652160
CID 58652160

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(1-methylindol-3-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2E)-2-[(1-methylindol-3-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (CID 6137382) is (2E)-2-[(1-methylindol-3-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2E)-2-[(1-methylindol-3-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2E)-2-[(1-methylindol-3-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is Cn1cc(/C=c2/sc3n(c2=O)CCN=3)c2ccccc21.
What is the InChIKey of (2E)-2-[(1-methylindol-3-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is ISOCDAKEYQCCKK-MDWZMJQESA-N. The full InChI is InChI=1S/C15H13N3OS/c1-17-9-10(11-4-2-3-5-12(11)17)8-13-14(19)18-7-6-16-15(18)20-13/h2-5,8-9H,6-7H2,1H3/b13-8+.
What are the key properties of (2E)-2-[(1-methylindol-3-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
(2E)-2-[(1-methylindol-3-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 283.36 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(1-methylindol-3-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 6137382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).