2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde

C6H6ClNOS — CID 87686562

IUPAC2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde
SMILESCc1csc(C(Cl)C=O)n1
InChIInChI=1S/C6H6ClNOS/c1-4-3-10-6(8-4)5(7)2-9/h2-3,5H,1H3
InChIKeyAQELZCNIEKTXRY-UHFFFAOYSA-N
MW175.64 g/mol
LogP1.93
Rot. Bonds2

About 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde

2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde (PubChem CID 87686562) has the molecular formula C6H6ClNOS and a molecular weight of 175.64 g/mol. Its IUPAC name is 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde
PubChem CID87686562
Molecular FormulaC6H6ClNOS
Molecular Weight175.64 g/mol
Exact Mass174.99
IUPAC Name2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde
SMILESCc1csc(C(Cl)C=O)n1
InChIInChI=1S/C6H6ClNOS/c1-4-3-10-6(8-4)5(7)2-9/h2-3,5H,1H3
InChIKeyAQELZCNIEKTXRY-UHFFFAOYSA-N
XLogP1.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.64
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate
CID 174605166
2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104771577
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole
CID 143800499
3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal
CID 82040279
(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 130731435
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005
4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 80725960
3-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 63196473
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CID 66752054
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115717784

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde?
The IUPAC name of 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde (CID 87686562) is 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde.
What is the SMILES notation for 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde?
The canonical SMILES for 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde is Cc1csc(C(Cl)C=O)n1.
What is the InChIKey of 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde?
The InChIKey is AQELZCNIEKTXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNOS/c1-4-3-10-6(8-4)5(7)2-9/h2-3,5H,1H3.
What are the key properties of 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde?
2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde has a molecular weight of 175.64 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde is sourced from PubChem (CID 87686562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).