4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine

C10H15ClN2S2 — CID 115681803

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine
SMILESCC1SCCN(Cc2cnc(Cl)s2)C1C
InChIInChI=1S/C10H15ClN2S2/c1-7-8(2)14-4-3-13(7)6-9-5-12-10(11)15-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyLTUFWROBXFHMCJ-UHFFFAOYSA-N
MW262.83 g/mol
LogP3.12
Rot. Bonds2

About 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine

4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine (PubChem CID 115681803) has the molecular formula C10H15ClN2S2 and a molecular weight of 262.83 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine
PubChem CID115681803
Molecular FormulaC10H15ClN2S2
Molecular Weight262.83 g/mol
Exact Mass262.04
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine
SMILESCC1SCCN(Cc2cnc(Cl)s2)C1C
InChIInChI=1S/C10H15ClN2S2/c1-7-8(2)14-4-3-13(7)6-9-5-12-10(11)15-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyLTUFWROBXFHMCJ-UHFFFAOYSA-N
XLogP3.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.83
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine (CID 115681803) is 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine is CC1SCCN(Cc2cnc(Cl)s2)C1C.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine?
The InChIKey is LTUFWROBXFHMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S2/c1-7-8(2)14-4-3-13(7)6-9-5-12-10(11)15-9/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine?
4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine has a molecular weight of 262.83 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dimethylthiomorpholine is sourced from PubChem (CID 115681803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).