4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde

C5H4ClNOS2 — CID 15665808

IUPAC4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde
SMILESCSc1nc(Cl)c(C=O)s1
InChIInChI=1S/C5H4ClNOS2/c1-9-5-7-4(6)3(2-8)10-5/h2H,1H3
InChIKeyONXNAKAUSFQTFV-UHFFFAOYSA-N
MW193.68 g/mol
LogP2.33
Rot. Bonds2

About 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde

4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde (PubChem CID 15665808) has the molecular formula C5H4ClNOS2 and a molecular weight of 193.68 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde
PubChem CID15665808
Molecular FormulaC5H4ClNOS2
Molecular Weight193.68 g/mol
Exact Mass192.94
IUPAC Name4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde
SMILESCSc1nc(Cl)c(C=O)s1
InChIInChI=1S/C5H4ClNOS2/c1-9-5-7-4(6)3(2-8)10-5/h2H,1H3
InChIKeyONXNAKAUSFQTFV-UHFFFAOYSA-N
XLogP2.33
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 52.33
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 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde (CID 15665808) is 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde is CSc1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is ONXNAKAUSFQTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNOS2/c1-9-5-7-4(6)3(2-8)10-5/h2H,1H3.
What are the key properties of 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde?
4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 193.68 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 15665808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).