6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C9H10N2OS2 — CID 20982629

IUPAC6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCCSc1nc2sccn2c1C=O
InChIInChI=1S/C9H10N2OS2/c1-2-4-13-8-7(6-12)11-3-5-14-9(11)10-8/h3,5-6H,2,4H2,1H3
InChIKeyIQFXVEDDNBSKRD-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.71
Rot. Bonds4

About 6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 20982629) has the molecular formula C9H10N2OS2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID20982629
Molecular FormulaC9H10N2OS2
Molecular Weight226.33 g/mol
Exact Mass226.02
IUPAC Name6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCCSc1nc2sccn2c1C=O
InChIInChI=1S/C9H10N2OS2/c1-2-4-13-8-7(6-12)11-3-5-14-9(11)10-8/h3,5-6H,2,4H2,1H3
InChIKeyIQFXVEDDNBSKRD-UHFFFAOYSA-N
XLogP2.71
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6-propylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 39194776
6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107772122
6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63802355
3-[[2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetyl]amino]propanoic acid
CID 39165173
methyl 2-[1-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107778323
N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide
CID 40517031
6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 112728119
1-[2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 82032593
6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63801735
2-(6-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 63818995
3-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
CID 66127925
6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63802182

Frequently Asked Questions

What is the IUPAC name of 6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 20982629) is 6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCCSc1nc2sccn2c1C=O.
What is the InChIKey of 6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is IQFXVEDDNBSKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS2/c1-2-4-13-8-7(6-12)11-3-5-14-9(11)10-8/h3,5-6H,2,4H2,1H3.
What are the key properties of 6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 226.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 20982629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).