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

C10H13ClN2O2S — CID 80687060

IUPAC4-chloro-2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC1(C)COCCN1c1nc(Cl)c(C=O)s1
InChIInChI=1S/C10H13ClN2O2S/c1-10(2)6-15-4-3-13(10)9-12-8(11)7(5-14)16-9/h5H,3-4,6H2,1-2H3
InChIKeySBVRMJLSABMRGI-UHFFFAOYSA-N
MW260.75 g/mol
LogP2.22
Rot. Bonds2

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

4-chloro-2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 80687060) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 4-chloro-2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID80687060
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name4-chloro-2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC1(C)COCCN1c1nc(Cl)c(C=O)s1
InChIInChI=1S/C10H13ClN2O2S/c1-10(2)6-15-4-3-13(10)9-12-8(11)7(5-14)16-9/h5H,3-4,6H2,1-2H3
InChIKeySBVRMJLSABMRGI-UHFFFAOYSA-N
XLogP2.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde (CID 80687060) is 4-chloro-2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde is CC1(C)COCCN1c1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is SBVRMJLSABMRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-10(2)6-15-4-3-13(10)9-12-8(11)7(5-14)16-9/h5H,3-4,6H2,1-2H3.
What are the key properties of 4-chloro-2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 260.75 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80687060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).