5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde

C7H7NOS — CID 28950174

IUPAC5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde
SMILESO=Cc1nc2c(s1)CCC2
InChIInChI=1S/C7H7NOS/c9-4-7-8-5-2-1-3-6(5)10-7/h4H,1-3H2
InChIKeyDJFDDSCRAJTISY-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.44
Rot. Bonds1

About 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde

5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde (PubChem CID 28950174) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde
PubChem CID28950174
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde
SMILESO=Cc1nc2c(s1)CCC2
InChIInChI=1S/C7H7NOS/c9-4-7-8-5-2-1-3-6(5)10-7/h4H,1-3H2
InChIKeyDJFDDSCRAJTISY-UHFFFAOYSA-N
XLogP1.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.44
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

2-methyl-4H,5H,6H-cyclopenta(d)(1,3)thiazole
CID 21529489
4,5,6,7-Tetrahydro-1,3-benzothiazole-2-carbaldehyde
CID 23301518
1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethan-1-one
CID 46784924
4,4-Dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole-2-carbaldehyde
CID 79863157
5-(1,1-Difluoroethyl)-4-methyl-1,3-thiazole-2-carbaldehyde
CID 83853617
5-(1-Fluoroethyl)-4-methyl-1,3-thiazole-2-carbaldehyde
CID 83853618
6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid
CID 105442456
5-Ethyl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde
CID 105462600
5,6-dihydro-4H-cyclopenta[d]thiazole-2-carboxylic acid
CID 28950332
5,6-Dihydro-4H-cyclopentathiazole-2-methanol
CID 46784913
4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazole-2-carbaldehyde
CID 46784947
ethyl 5,6-dihydro-4H-cyclopenta[d]thiazole-2-carboxylate
CID 57965085

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde (CID 28950174) is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde is O=Cc1nc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde?
The InChIKey is DJFDDSCRAJTISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c9-4-7-8-5-2-1-3-6(5)10-7/h4H,1-3H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde?
5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde has a molecular weight of 153.21 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carbaldehyde is sourced from PubChem (CID 28950174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).