5-(2-methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde

C9H9NOS2 — CID 145448884

IUPAC5-(2-methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde
SMILESCC1N=C(c2ccc(C=O)s2)CS1
InChIInChI=1S/C9H9NOS2/c1-6-10-8(5-12-6)9-3-2-7(4-11)13-9/h2-4,6H,5H2,1H3
InChIKeyVTHYJHHJYGIYTJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.44
Rot. Bonds2

About 5-(2-methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde

5-(2-methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde (PubChem CID 145448884) has the molecular formula C9H9NOS2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-(2-methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde
PubChem CID145448884
Molecular FormulaC9H9NOS2
Molecular Weight211.31 g/mol
Exact Mass211.01
IUPAC Name5-(2-methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde
SMILESCC1N=C(c2ccc(C=O)s2)CS1
InChIInChI=1S/C9H9NOS2/c1-6-10-8(5-12-6)9-3-2-7(4-11)13-9/h2-4,6H,5H2,1H3
InChIKeyVTHYJHHJYGIYTJ-UHFFFAOYSA-N
XLogP2.44
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(2-methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde (CID 145448884) is 5-(2-methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(2-methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(2-methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde is CC1N=C(c2ccc(C=O)s2)CS1.
What is the InChIKey of 5-(2-methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde?
The InChIKey is VTHYJHHJYGIYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS2/c1-6-10-8(5-12-6)9-3-2-7(4-11)13-9/h2-4,6H,5H2,1H3.
What are the key properties of 5-(2-methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde?
5-(2-methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde has a molecular weight of 211.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 145448884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).