6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde

C10H13NOS — CID 62927739

IUPAC6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde
SMILESCCC1CCc2nc(C=O)sc2C1
InChIInChI=1S/C10H13NOS/c1-2-7-3-4-8-9(5-7)13-10(6-12)11-8/h6-7H,2-5H2,1H3
InChIKeyYUOMFDNFCDWEGV-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.47
Rot. Bonds2

About 6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde

6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde (PubChem CID 62927739) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde.

Molecular Properties

Compound Name6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde
PubChem CID62927739
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde
SMILESCCC1CCc2nc(C=O)sc2C1
InChIInChI=1S/C10H13NOS/c1-2-7-3-4-8-9(5-7)13-10(6-12)11-8/h6-7H,2-5H2,1H3
InChIKeyYUOMFDNFCDWEGV-UHFFFAOYSA-N
XLogP2.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde
CID 140994202
6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62942724
2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine
CID 62542565
1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine
CID 61338018
2-(4-bromophenyl)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 79831828
(2S)-N-[(6S)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-methylsulfonylpropanamide
CID 94112837
5-ethyl-4,5,6,7-tetrahydro-2,1-benzothiazole-3-carbaldehyde
CID 155480181
4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole-2-carbaldehyde
CID 63518040
(2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 119713639
N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119713660
1-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanone
CID 63526150
N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 154834730

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde?
The IUPAC name of 6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde (CID 62927739) is 6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde.
What is the SMILES notation for 6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde?
The canonical SMILES for 6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde is CCC1CCc2nc(C=O)sc2C1.
What is the InChIKey of 6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde?
The InChIKey is YUOMFDNFCDWEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-2-7-3-4-8-9(5-7)13-10(6-12)11-8/h6-7H,2-5H2,1H3.
What are the key properties of 6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde?
6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde has a molecular weight of 195.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde is sourced from PubChem (CID 62927739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).