4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid

C8H9ClN2O2S2 — CID 83153211

IUPAC4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1c1nc(Cl)cs1
InChIInChI=1S/C8H9ClN2O2S2/c9-6-4-15-8(10-6)11-1-2-14-3-5(11)7(12)13/h4-5H,1-3H2,(H,12,13)
InChIKeyJVXILJZFJGPDBV-UHFFFAOYSA-N
MW264.76 g/mol
LogP1.80
Rot. Bonds2

About 4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid

4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid (PubChem CID 83153211) has the molecular formula C8H9ClN2O2S2 and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid
PubChem CID83153211
Molecular FormulaC8H9ClN2O2S2
Molecular Weight264.76 g/mol
Exact Mass263.98
IUPAC Name4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1c1nc(Cl)cs1
InChIInChI=1S/C8H9ClN2O2S2/c9-6-4-15-8(10-6)11-1-2-14-3-5(11)7(12)13/h4-5H,1-3H2,(H,12,13)
InChIKeyJVXILJZFJGPDBV-UHFFFAOYSA-N
XLogP1.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83152836
4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid
CID 82901429
1-(4-chloro-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 83155605
4-(5-fluoropyrimidin-2-yl)thiomorpholine-3-carboxylic acid
CID 104606020
2-(4-chloro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 83153320
methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate
CID 104775148
4-(3,6-dimethylpyrazin-2-yl)thiomorpholine-3-carboxylic acid
CID 82904167
1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide
CID 83157135
4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid
CID 82900693
4-(5-methoxycarbonyl-6-methyl-2-pyridinyl)thiomorpholine-3-carboxylic acid
CID 82904565
2-(azepan-1-yl)-4-chloro-1,3-thiazole
CID 83155585
4-(6-propan-2-ylpyrimidin-4-yl)thiomorpholine-3-carboxylic acid
CID 82904493

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid (CID 83153211) is 4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1c1nc(Cl)cs1.
What is the InChIKey of 4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid?
The InChIKey is JVXILJZFJGPDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S2/c9-6-4-15-8(10-6)11-1-2-14-3-5(11)7(12)13/h4-5H,1-3H2,(H,12,13).
What are the key properties of 4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid?
4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid has a molecular weight of 264.76 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 83153211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).