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

C11H12N2O2S — CID 39196124

IUPAC(E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
SMILESCc1nc2sc(C)c(C)n2c1/C=C/C(=O)O
InChIInChI=1S/C11H12N2O2S/c1-6-9(4-5-10(14)15)13-7(2)8(3)16-11(13)12-6/h4-5H,1-3H3,(H,14,15)/b5-4+
InChIKeyFQAZGYUHLGDOQO-SNAWJCMRSA-N
MW236.30 g/mol
LogP2.42
Rot. Bonds2

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

(E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid (PubChem CID 39196124) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is (E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
PubChem CID39196124
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name(E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
SMILESCc1nc2sc(C)c(C)n2c1/C=C/C(=O)O
InChIInChI=1S/C11H12N2O2S/c1-6-9(4-5-10(14)15)13-7(2)8(3)16-11(13)12-6/h4-5H,1-3H3,(H,14,15)/b5-4+
InChIKeyFQAZGYUHLGDOQO-SNAWJCMRSA-N
XLogP2.42
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)prop-2-enoic acid
CID 82035118
(E)-3-(6-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
CID 39196288
6-cyclopropyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 83085504
(E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 39196278
2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 83085706
2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82036098
6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 83085807
2,3-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 83085911
(E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 39196018
(E)-3-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 82530341
(E)-3-[3-ethyl-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 39196050
3-[6-(3,4,5-trimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 61236656

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid (CID 39196124) is (E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid is Cc1nc2sc(C)c(C)n2c1/C=C/C(=O)O.
What is the InChIKey of (E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid?
The InChIKey is FQAZGYUHLGDOQO-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-6-9(4-5-10(14)15)13-7(2)8(3)16-11(13)12-6/h4-5H,1-3H3,(H,14,15)/b5-4+.
What are the key properties of (E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid?
(E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid has a molecular weight of 236.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid is sourced from PubChem (CID 39196124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).