(E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid

C13H10N2O2S2 — CID 39196288

IUPAC(E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
SMILESCc1nc2scc(-c3cccs3)n2c1/C=C/C(=O)O
InChIInChI=1S/C13H10N2O2S2/c1-8-9(4-5-12(16)17)15-10(7-19-13(15)14-8)11-3-2-6-18-11/h2-7H,1H3,(H,16,17)/b5-4+
InChIKeyDGVXMQPOTBXWSH-SNAWJCMRSA-N
MW290.37 g/mol
LogP3.53
Rot. Bonds3

About (E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid

(E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid (PubChem CID 39196288) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
PubChem CID39196288
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC Name(E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
SMILESCc1nc2scc(-c3cccs3)n2c1/C=C/C(=O)O
InChIInChI=1S/C13H10N2O2S2/c1-8-9(4-5-12(16)17)15-10(7-19-13(15)14-8)11-3-2-6-18-11/h2-7H,1H3,(H,16,17)/b5-4+
InChIKeyDGVXMQPOTBXWSH-SNAWJCMRSA-N
XLogP3.53
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 39196278
(E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 39195917
(E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
CID 39196124
(E)-3-(1-methyl-2-oxo-6-thiophen-2-yl-3-pyridinyl)prop-2-enoic acid
CID 82516868
(E)-3-(6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 39196006
2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565677
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301
2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062357
3-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198944
3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198947
3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199009
(E)-3-(1-butyl-2-oxo-6-thiophen-2-yl-3-pyridinyl)prop-2-enoic acid
CID 82516717

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid (CID 39196288) is (E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid is Cc1nc2scc(-c3cccs3)n2c1/C=C/C(=O)O.
What is the InChIKey of (E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid?
The InChIKey is DGVXMQPOTBXWSH-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c1-8-9(4-5-12(16)17)15-10(7-19-13(15)14-8)11-3-2-6-18-11/h2-7H,1H3,(H,16,17)/b5-4+.
What are the key properties of (E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid?
(E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid has a molecular weight of 290.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid is sourced from PubChem (CID 39196288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).