4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde

C6H7ClN2OS — CID 9118376

IUPAC4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde
SMILESCN(C)c1nc(Cl)c(C=O)s1
InChIInChI=1S/C6H7ClN2OS/c1-9(2)6-8-5(7)4(3-10)11-6/h3H,1-2H3
InChIKeyWQEAFACWNKVEMO-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.67
Rot. Bonds2

About 4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde

4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde (PubChem CID 9118376) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is 4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde
PubChem CID9118376
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC Name4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde
SMILESCN(C)c1nc(Cl)c(C=O)s1
InChIInChI=1S/C6H7ClN2OS/c1-9(2)6-8-5(7)4(3-10)11-6/h3H,1-2H3
InChIKeyWQEAFACWNKVEMO-UHFFFAOYSA-N
XLogP1.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.66
LogP ≤ 51.67
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-(dimethylamino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde (CID 9118376) is 4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde is CN(C)c1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is WQEAFACWNKVEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c1-9(2)6-8-5(7)4(3-10)11-6/h3H,1-2H3.
What are the key properties of 4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 190.66 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 9118376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).