2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal

C11H12N2OS — CID 79331317

IUPAC2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal
SMILESCCC(C=O)=Cc1c(C)nc2sccn12
InChIInChI=1S/C11H12N2OS/c1-3-9(7-14)6-10-8(2)12-11-13(10)4-5-15-11/h4-7H,3H2,1-2H3
InChIKeyCVNVUTYFZXERSA-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.70
Rot. Bonds3

About 2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal

2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal (PubChem CID 79331317) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal.

Molecular Properties

Compound Name2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal
PubChem CID79331317
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal
SMILESCCC(C=O)=Cc1c(C)nc2sccn12
InChIInChI=1S/C11H12N2OS/c1-3-9(7-14)6-10-8(2)12-11-13(10)4-5-15-11/h4-7H,3H2,1-2H3
InChIKeyCVNVUTYFZXERSA-UHFFFAOYSA-N
XLogP2.70
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-ol
CID 79334284
(E)-2-cyano-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
CID 43244886
2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79329020
N,2-dimethyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine
CID 79340574
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79324353
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79339901
N-(2-methoxyethyl)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79339937
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79339746
N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79346775
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal
CID 79330598
6-methylimidazo[2,1-b][1,3]thiazole-5-thiol
CID 142258463
6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole
CID 76912976

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal?
The IUPAC name of 2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal (CID 79331317) is 2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal.
What is the SMILES notation for 2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal?
The canonical SMILES for 2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal is CCC(C=O)=Cc1c(C)nc2sccn12.
What is the InChIKey of 2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal?
The InChIKey is CVNVUTYFZXERSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-3-9(7-14)6-10-8(2)12-11-13(10)4-5-15-11/h4-7H,3H2,1-2H3.
What are the key properties of 2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal?
2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal has a molecular weight of 220.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal is sourced from PubChem (CID 79331317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).