2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde

C11H9ClN2OS — CID 123698759

IUPAC2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde
SMILESO=CCc1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H9ClN2OS/c12-8-1-3-9(4-2-8)13-11-14-10(5-6-15)7-16-11/h1-4,6-7H,5H2,(H,13,14)
InChIKeyMTNOJBTZYBRNCC-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.28
Rot. Bonds4

About 2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde

2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde (PubChem CID 123698759) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde
PubChem CID123698759
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde
SMILESO=CCc1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H9ClN2OS/c12-8-1-3-9(4-2-8)13-11-14-10(5-6-15)7-16-11/h1-4,6-7H,5H2,(H,13,14)
InChIKeyMTNOJBTZYBRNCC-UHFFFAOYSA-N
XLogP3.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 7892282
4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 82179811
2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 30940383
2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide
CID 54546949
N-(4-bromophenyl)-4-ethyl-1,3-thiazol-2-amine
CID 22347320
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 7668806
[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanol
CID 118713961
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone
CID 84570012
4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 18268583

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde?
The IUPAC name of 2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde (CID 123698759) is 2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde?
The canonical SMILES for 2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde is O=CCc1csc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde?
The InChIKey is MTNOJBTZYBRNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-8-1-3-9(4-2-8)13-11-14-10(5-6-15)7-16-11/h1-4,6-7H,5H2,(H,13,14).
What are the key properties of 2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde?
2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde has a molecular weight of 252.73 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde is sourced from PubChem (CID 123698759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).