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

C10H13ClN2OS — CID 53273626

IUPAC4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(NC2CCCCC2)nc1Cl
InChIInChI=1S/C10H13ClN2OS/c11-9-8(6-14)15-10(13-9)12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13)
InChIKeyAPRBPEFOLHUMAK-UHFFFAOYSA-N
MW244.75 g/mol
LogP3.35
Rot. Bonds3

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

4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde (PubChem CID 53273626) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde
PubChem CID53273626
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(NC2CCCCC2)nc1Cl
InChIInChI=1S/C10H13ClN2OS/c11-9-8(6-14)15-10(13-9)12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13)
InChIKeyAPRBPEFOLHUMAK-UHFFFAOYSA-N
XLogP3.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
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-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde (CID 53273626) is 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde is O=Cc1sc(NC2CCCCC2)nc1Cl.
What is the InChIKey of 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is APRBPEFOLHUMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c11-9-8(6-14)15-10(13-9)12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13).
What are the key properties of 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 244.75 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 53273626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).