4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide

C9H10ClN3O3S — CID 83096652

IUPAC4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1nc(Cl)c(C=O)s1
InChIInChI=1S/C9H10ClN3O3S/c10-7-6(3-14)17-9(12-7)13-1-2-16-4-5(13)8(11)15/h3,5H,1-2,4H2,(H2,11,15)
InChIKeyGLOYJKAOEAHILT-UHFFFAOYSA-N
MW275.72 g/mol
LogP0.30
Rot. Bonds3

About 4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide

4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide (PubChem CID 83096652) has the molecular formula C9H10ClN3O3S and a molecular weight of 275.72 g/mol. Its IUPAC name is 4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
PubChem CID83096652
Molecular FormulaC9H10ClN3O3S
Molecular Weight275.72 g/mol
Exact Mass275.01
IUPAC Name4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1nc(Cl)c(C=O)s1
InChIInChI=1S/C9H10ClN3O3S/c10-7-6(3-14)17-9(12-7)13-1-2-16-4-5(13)8(11)15/h3,5H,1-2,4H2,(H2,11,15)
InChIKeyGLOYJKAOEAHILT-UHFFFAOYSA-N
XLogP0.30
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.72
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloro-5-formyl-1,3-thiazol-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83100280
4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide
CID 83095423
4-(6-chloropyrazin-2-yl)morpholine-3-carboxamide
CID 83095551
4-chloro-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80688363
methyl 4-chloro-2-[3-(ethylcarbamoyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate
CID 83104712
4-chloro-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazole-5-carbaldehyde
CID 130861589
4-(4,6-dimethylpyrimidin-2-yl)morpholine-3-carboxamide
CID 75483897
4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde
CID 53273580
4-chloro-2-(2-methylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687257
5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid
CID 83095887
4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide
CID 107545048
4-(6-amino-2-cyclopropylpyrimidin-4-yl)morpholine-3-carboxamide
CID 83106114

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide?
The IUPAC name of 4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide (CID 83096652) is 4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide?
The canonical SMILES for 4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide is NC(=O)C1COCCN1c1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide?
The InChIKey is GLOYJKAOEAHILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3S/c10-7-6(3-14)17-9(12-7)13-1-2-16-4-5(13)8(11)15/h3,5H,1-2,4H2,(H2,11,15).
What are the key properties of 4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide?
4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide has a molecular weight of 275.72 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide is sourced from PubChem (CID 83096652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).