4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine

C12H13ClN2OS — CID 16849825

IUPAC4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine
SMILESCc1c(Cl)ccc2sc(N3CCOCC3)nc12
InChIInChI=1S/C12H13ClN2OS/c1-8-9(13)2-3-10-11(8)14-12(17-10)15-4-6-16-7-5-15/h2-3H,4-7H2,1H3
InChIKeyQLPUDESFYGNUEU-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.09
Rot. Bonds1

About 4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine

4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine (PubChem CID 16849825) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine
PubChem CID16849825
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine
SMILESCc1c(Cl)ccc2sc(N3CCOCC3)nc12
InChIInChI=1S/C12H13ClN2OS/c1-8-9(13)2-3-10-11(8)14-12(17-10)15-4-6-16-7-5-15/h2-3H,4-7H2,1H3
InChIKeyQLPUDESFYGNUEU-UHFFFAOYSA-N
XLogP3.09
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 167512915
[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165435628
5-chloro-4-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941639
5-chloro-2-(4-cyclohexylpiperazin-1-yl)-4-methyl-1,3-benzothiazole
CID 121083667
2-(4-benzylpiperazin-1-yl)-5-chloro-4-methyl-1,3-benzothiazole
CID 90601986
2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-chloro-4-methyl-1,3-benzothiazole
CID 16941669
8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 154829409
ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 167513068
[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 7577748
4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride
CID 16849828
[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 41027463
[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 7577746

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine?
The IUPAC name of 4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine (CID 16849825) is 4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine is Cc1c(Cl)ccc2sc(N3CCOCC3)nc12.
What is the InChIKey of 4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine?
The InChIKey is QLPUDESFYGNUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-8-9(13)2-3-10-11(8)14-12(17-10)15-4-6-16-7-5-15/h2-3H,4-7H2,1H3.
What are the key properties of 4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine?
4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine has a molecular weight of 268.77 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine is sourced from PubChem (CID 16849825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).