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

C13H12N2O2S — CID 10753827

IUPAC(5E)-5-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one
SMILESCOc1ccccc1/C=C1\C(=O)N=C2SCCN21
InChIInChI=1S/C13H12N2O2S/c1-17-11-5-3-2-4-9(11)8-10-12(16)14-13-15(10)6-7-18-13/h2-5,8H,6-7H2,1H3/b10-8+
InChIKeyNHIKQOPXOYWZMY-CSKARUKUSA-N
MW260.32 g/mol
LogP1.98
Rot. Bonds2

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

(5E)-5-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one (PubChem CID 10753827) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is (5E)-5-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one.

Molecular Properties

Compound Name(5E)-5-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one
PubChem CID10753827
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name(5E)-5-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one
SMILESCOc1ccccc1/C=C1\C(=O)N=C2SCCN21
InChIInChI=1S/C13H12N2O2S/c1-17-11-5-3-2-4-9(11)8-10-12(16)14-13-15(10)6-7-18-13/h2-5,8H,6-7H2,1H3/b10-8+
InChIKeyNHIKQOPXOYWZMY-CSKARUKUSA-N
XLogP1.98
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6E)-6-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
CID 10730056
2-(azepan-1-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 2878171
6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
CID 13131698
(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one
CID 121461091
5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 3916048
(3E)-3-[(2-methoxyphenyl)methylidene]oxolane-2,5-dione
CID 82158591
(2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 6925418
(5Z)-5-[(2-ethoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 706516
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one
CID 6537013
(5Z)-5-[(2-ethoxyphenyl)methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
CID 936974
(7Z)-7-[(2-chlorophenyl)methylidene]-3-(3,4-dimethoxyphenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one
CID 42534534
(2Z,4Z)-2,4-bis[(2,3-dimethoxyphenyl)methylidene]thiolan-3-one
CID 46246656

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one?
The IUPAC name of (5E)-5-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one (CID 10753827) is (5E)-5-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one.
What is the SMILES notation for (5E)-5-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one?
The canonical SMILES for (5E)-5-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one is COc1ccccc1/C=C1\C(=O)N=C2SCCN21.
What is the InChIKey of (5E)-5-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one?
The InChIKey is NHIKQOPXOYWZMY-CSKARUKUSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-17-11-5-3-2-4-9(11)8-10-12(16)14-13-15(10)6-7-18-13/h2-5,8H,6-7H2,1H3/b10-8+.
What are the key properties of (5E)-5-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one?
(5E)-5-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one has a molecular weight of 260.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one is sourced from PubChem (CID 10753827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).