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

C9H7NOS2 — CID 2776469

IUPAC5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde
SMILESCc1nc(-c2ccc(C=O)s2)cs1
InChIInChI=1S/C9H7NOS2/c1-6-10-8(5-12-6)9-3-2-7(4-11)13-9/h2-5H,1H3
InChIKeyOTEBKLSFEFZNAG-UHFFFAOYSA-N
MW209.30 g/mol
LogP2.99
Rot. Bonds2

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

5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde (PubChem CID 2776469) has the molecular formula C9H7NOS2 and a molecular weight of 209.30 g/mol. Its IUPAC name is 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde
PubChem CID2776469
Molecular FormulaC9H7NOS2
Molecular Weight209.30 g/mol
Exact Mass209.00
IUPAC Name5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde
SMILESCc1nc(-c2ccc(C=O)s2)cs1
InChIInChI=1S/C9H7NOS2/c1-6-10-8(5-12-6)9-3-2-7(4-11)13-9/h2-5H,1H3
InChIKeyOTEBKLSFEFZNAG-UHFFFAOYSA-N
XLogP2.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Methyl-1,3-thiazol-4-yl)benzaldehyde
CID 820976
2-(Thiophen-2-yl)-1,3-thiazole-4-carbaldehyde
CID 18411551
4-(4-Methyl-1,3-thiazol-2-yl)benzaldehyde
CID 28343251
5-(1,3-Thiazol-4-yl)thiophene-2-carbaldehyde
CID 165455448
5-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde
CID 122635770
4-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]benzaldehyde
CID 146422739
Ethyl 2-(4-(5-formylthiophen-2-yl)thiazol-2-yl)acetate
CID 145706950
(E)-1-(3-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 60242277
(E)-1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 60242353
(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 60355760
1-(3-Fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 72686228
1-(4-Fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 72686242

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde (CID 2776469) is 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde is Cc1nc(-c2ccc(C=O)s2)cs1.
What is the InChIKey of 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde?
The InChIKey is OTEBKLSFEFZNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS2/c1-6-10-8(5-12-6)9-3-2-7(4-11)13-9/h2-5H,1H3.
What are the key properties of 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde?
5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde has a molecular weight of 209.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 2776469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).