3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine

C8H12N2S2 — CID 82397404

IUPAC3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine
SMILESCc1nc(C2CSCCN2)cs1
InChIInChI=1S/C8H12N2S2/c1-6-10-8(5-12-6)7-4-11-3-2-9-7/h5,7,9H,2-4H2,1H3
InChIKeyGYWFRCIYTGTZHQ-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.83
Rot. Bonds1

About 3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine

3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine (PubChem CID 82397404) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine
PubChem CID82397404
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine
SMILESCc1nc(C2CSCCN2)cs1
InChIInChI=1S/C8H12N2S2/c1-6-10-8(5-12-6)7-4-11-3-2-9-7/h5,7,9H,2-4H2,1H3
InChIKeyGYWFRCIYTGTZHQ-UHFFFAOYSA-N
XLogP1.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholine
CID 96626970
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine
CID 66422771
2-methyl-5-thiomorpholin-3-yl-1,3-oxazole
CID 105441296
3-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thiomorpholine
CID 105484126
(3S)-3-pyridin-3-ylthiomorpholine
CID 26369463
N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704147
3-pyridin-3-ylthiomorpholine
CID 3873279
N-methyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704146
N-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 72942833
2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 96858276
4-ethyl-5-methyl-2-thiomorpholin-3-yl-1,3-oxazole
CID 105466255
3-(7-fluoroimidazo[1,2-a]pyridin-2-yl)thiomorpholine
CID 105499104

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine (CID 82397404) is 3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine is Cc1nc(C2CSCCN2)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine?
The InChIKey is GYWFRCIYTGTZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-6-10-8(5-12-6)7-4-11-3-2-9-7/h5,7,9H,2-4H2,1H3.
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine?
3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine has a molecular weight of 200.33 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine is sourced from PubChem (CID 82397404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).