2,4-dichloro-1,3-thiazole-5-carbaldehyde

C4HCl2NOS — CID 1488672

IUPAC2,4-dichloro-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Cl)nc1Cl
InChIInChI=1S/C4HCl2NOS/c5-3-2(1-8)9-4(6)7-3/h1H
InChIKeyCFEKBKCGPASOFI-UHFFFAOYSA-N
MW182.03 g/mol
LogP2.26
Rot. Bonds1

About 2,4-dichloro-1,3-thiazole-5-carbaldehyde

2,4-dichloro-1,3-thiazole-5-carbaldehyde (PubChem CID 1488672) has the molecular formula C4HCl2NOS and a molecular weight of 182.03 g/mol. Its IUPAC name is 2,4-dichloro-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2,4-dichloro-1,3-thiazole-5-carbaldehyde
PubChem CID1488672
Molecular FormulaC4HCl2NOS
Molecular Weight182.03 g/mol
Exact Mass180.92
IUPAC Name2,4-dichloro-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Cl)nc1Cl
InChIInChI=1S/C4HCl2NOS/c5-3-2(1-8)9-4(6)7-3/h1H
InChIKeyCFEKBKCGPASOFI-UHFFFAOYSA-N
XLogP2.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.03
LogP ≤ 52.26
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-Amino-4-chloro-1,3-thiazole-5-carbaldehyde
CID 11030154
4-Chloro-1,3-thiazole-5-carbaldehyde
CID 14501317
4-Chloro-2-methoxy-1,3-thiazole-5-carbaldehyde
CID 33777885
2-Bromo-4-chloro-1,3-thiazole-5-carbaldehyde
CID 15141968
4-Chloro-2-methyl-1,3-thiazole-5-carbaldehyde
CID 21052312
4-Chloro-2-iodo-1,3-thiazole-5-carbaldehyde
CID 137935417
4-Chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde
CID 15665808
4-Chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole-5-carbaldehyde
CID 80687180
4-Chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole-5-carbaldehyde
CID 80687721
4-Chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde
CID 80688457
4-Chloro-2-(2,2-difluoroethoxy)-1,3-thiazole-5-carbaldehyde
CID 82006061
4-Chloro-2-(4,4,4-trifluorobutoxy)-1,3-thiazole-5-carbaldehyde
CID 82788093

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2,4-dichloro-1,3-thiazole-5-carbaldehyde (CID 1488672) is 2,4-dichloro-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2,4-dichloro-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2,4-dichloro-1,3-thiazole-5-carbaldehyde is O=Cc1sc(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-1,3-thiazole-5-carbaldehyde?
The InChIKey is CFEKBKCGPASOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl2NOS/c5-3-2(1-8)9-4(6)7-3/h1H.
What are the key properties of 2,4-dichloro-1,3-thiazole-5-carbaldehyde?
2,4-dichloro-1,3-thiazole-5-carbaldehyde has a molecular weight of 182.03 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 1488672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).