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

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Related Compounds

4-[(6-chloro-3-pyridinyl)methyl]-2,3-dimethylthiomorpholine
CID 115635244
2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole
CID 82713356
2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 71639382
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-2-one
CID 104680079
1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 71649579
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methylazepan-2-one
CID 79764355
2-[4-[(2,3-dimethylthiomorpholin-4-yl)methyl]phenyl]acetic acid
CID 105346194
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115305120
2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 83137193
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622518
tert-butyl (3S)-4-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperazine-1-carboxylate
CID 86329381
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961053

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).