2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid

C15H15ClN4O3S — CID 119210433

IUPAC2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)c1cn(-c2ccccc2Cl)nn1
InChIInChI=1S/C15H15ClN4O3S/c16-11-3-1-2-4-13(11)20-8-12(17-18-20)15(23)19-5-6-24-9-10(19)7-14(21)22/h1-4,8,10H,5-7,9H2,(H,21,22)
InChIKeyLOIYRIWBHPTJHA-UHFFFAOYSA-N
MW366.83 g/mol
LogP1.95
Rot. Bonds4

About 2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid

2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid (PubChem CID 119210433) has the molecular formula C15H15ClN4O3S and a molecular weight of 366.83 g/mol. Its IUPAC name is 2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid
PubChem CID119210433
Molecular FormulaC15H15ClN4O3S
Molecular Weight366.83 g/mol
Exact Mass366.06
IUPAC Name2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)c1cn(-c2ccccc2Cl)nn1
InChIInChI=1S/C15H15ClN4O3S/c16-11-3-1-2-4-13(11)20-8-12(17-18-20)15(23)19-5-6-24-9-10(19)7-14(21)22/h1-4,8,10H,5-7,9H2,(H,21,22)
InChIKeyLOIYRIWBHPTJHA-UHFFFAOYSA-N
XLogP1.95
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid 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

2-[4-(6-chloropyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444450
2-[4-(3,4-dichlorobenzoyl)thiomorpholin-3-yl]acetic acid
CID 66445224
2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444651
2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520706
2-[4-(2-chloro-5-hydroxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 106500352
[1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 95157090
[1-(2-chlorophenyl)triazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561385
2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 113352819
2-[4-(1-propan-2-ylpyrazole-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 119210178
2-[4-(2,3-dihydroxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 114343400
2-[4-(4-chloro-2-fluorobenzoyl)thiomorpholin-3-yl]acetic acid
CID 66445815
2-[4-(2-cyclopentylpyrazole-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520732

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid (CID 119210433) is 2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)c1cn(-c2ccccc2Cl)nn1.
What is the InChIKey of 2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is LOIYRIWBHPTJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3S/c16-11-3-1-2-4-13(11)20-8-12(17-18-20)15(23)19-5-6-24-9-10(19)7-14(21)22/h1-4,8,10H,5-7,9H2,(H,21,22).
What are the key properties of 2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid?
2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 366.83 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-chlorophenyl)triazole-4-carbonyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 119210433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).