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

C5H4ClNOS — CID 21052312

IUPAC4-chloro-2-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)s1
InChIInChI=1S/C5H4ClNOS/c1-3-7-5(6)4(2-8)9-3/h2H,1H3
InChIKeyNFLMSYWHFBVICE-UHFFFAOYSA-N
MW161.61 g/mol
LogP1.92
Rot. Bonds1

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

4-chloro-2-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 21052312) has the molecular formula C5H4ClNOS and a molecular weight of 161.61 g/mol. Its IUPAC name is 4-chloro-2-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID21052312
Molecular FormulaC5H4ClNOS
Molecular Weight161.61 g/mol
Exact Mass160.97
IUPAC Name4-chloro-2-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)s1
InChIInChI=1S/C5H4ClNOS/c1-3-7-5(6)4(2-8)9-3/h2H,1H3
InChIKeyNFLMSYWHFBVICE-UHFFFAOYSA-N
XLogP1.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.61
LogP ≤ 51.92
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

2,4-Dichloro-1,3-thiazole-5-carboxaldehyde
CID 1488672
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-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
4-Chloro-2-(3,3,3-trifluoropropoxy)-1,3-thiazole-5-carbaldehyde
CID 82955888

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-1,3-thiazole-5-carbaldehyde (CID 21052312) is 4-chloro-2-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-1,3-thiazole-5-carbaldehyde is Cc1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is NFLMSYWHFBVICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNOS/c1-3-7-5(6)4(2-8)9-3/h2H,1H3.
What are the key properties of 4-chloro-2-methyl-1,3-thiazole-5-carbaldehyde?
4-chloro-2-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 161.61 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 21052312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).