5-morpholin-4-yl-1,3-thiazole-2-carbaldehyde

C8H10N2O2S — CID 164924917

IUPAC5-morpholin-4-yl-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(N2CCOCC2)s1
InChIInChI=1S/C8H10N2O2S/c11-6-7-9-5-8(13-7)10-1-3-12-4-2-10/h5-6H,1-4H2
InChIKeyKDNCIVUGMSEQCD-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.79
Rot. Bonds2

About 5-morpholin-4-yl-1,3-thiazole-2-carbaldehyde

5-morpholin-4-yl-1,3-thiazole-2-carbaldehyde (PubChem CID 164924917) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 5-morpholin-4-yl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-morpholin-4-yl-1,3-thiazole-2-carbaldehyde
PubChem CID164924917
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name5-morpholin-4-yl-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(N2CCOCC2)s1
InChIInChI=1S/C8H10N2O2S/c11-6-7-9-5-8(13-7)10-1-3-12-4-2-10/h5-6H,1-4H2
InChIKeyKDNCIVUGMSEQCD-UHFFFAOYSA-N
XLogP0.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-5-morpholinothiazole
CID 60076349
2-(Morpholin-4-ylmethyl)-1,3-thiazol-5-amine
CID 22397141
2-(4-Morpholinylcarbonyl)-1,3-thiazol-5-amine
CID 22397226
4-(1,3-Thiazol-2-ylmethyl)morpholine
CID 57194818
5-(4-Morpholinyl)-2-thiazolecarbonitrile
CID 85848338
CID 89049761
CID 89049761
4-(2-Ethyl-1,3-thiazol-5-yl)morpholine
CID 89317794
4-(2-Methyl-1,3-thiazol-5-yl)morpholine
CID 90382166
Ethyl 2-[methyl(1,3-thiazol-5-yl)amino]acetate
CID 91354380
Morpholin-4-yl(1,3-thiazol-2-yl)methanone
CID 91804730
4-(1,3-Thiazol-5-yl)morpholine
CID 101501773
5-(Dimethylamino)-1,3-thiazole-2-carbaldehyde
CID 139671541

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-morpholin-4-yl-1,3-thiazole-2-carbaldehyde (CID 164924917) is 5-morpholin-4-yl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-morpholin-4-yl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-morpholin-4-yl-1,3-thiazole-2-carbaldehyde is O=Cc1ncc(N2CCOCC2)s1.
What is the InChIKey of 5-morpholin-4-yl-1,3-thiazole-2-carbaldehyde?
The InChIKey is KDNCIVUGMSEQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-6-7-9-5-8(13-7)10-1-3-12-4-2-10/h5-6H,1-4H2.
What are the key properties of 5-morpholin-4-yl-1,3-thiazole-2-carbaldehyde?
5-morpholin-4-yl-1,3-thiazole-2-carbaldehyde has a molecular weight of 198.25 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 164924917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).