6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C10H12N2O2S2 — CID 107772122

IUPAC6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC(O)C(C)Sc1nc2sccn2c1C=O
InChIInChI=1S/C10H12N2O2S2/c1-6(14)7(2)16-9-8(5-13)12-3-4-15-10(12)11-9/h3-7,14H,1-2H3
InChIKeyVDNIBEXQOJZQHF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds4

About 6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 107772122) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID107772122
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC(O)C(C)Sc1nc2sccn2c1C=O
InChIInChI=1S/C10H12N2O2S2/c1-6(14)7(2)16-9-8(5-13)12-3-4-15-10(12)11-9/h3-7,14H,1-2H3
InChIKeyVDNIBEXQOJZQHF-UHFFFAOYSA-N
XLogP2.07
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 107772122) is 6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CC(O)C(C)Sc1nc2sccn2c1C=O.
What is the InChIKey of 6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is VDNIBEXQOJZQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c1-6(14)7(2)16-9-8(5-13)12-3-4-15-10(12)11-9/h3-7,14H,1-2H3.
What are the key properties of 6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 256.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 107772122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).