4-(6-chloro-1,3-benzothiazol-2-yl)morpholine

C11H11ClN2OS — CID 2741382

IUPAC4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
SMILESClc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C11H11ClN2OS/c12-8-1-2-9-10(7-8)16-11(13-9)14-3-5-15-6-4-14/h1-2,7H,3-6H2
InChIKeyWZVBFKNDFYWFFW-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.79
Rot. Bonds1

About 4-(6-chloro-1,3-benzothiazol-2-yl)morpholine

4-(6-chloro-1,3-benzothiazol-2-yl)morpholine (PubChem CID 2741382) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 4-(6-chloro-1,3-benzothiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
PubChem CID2741382
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
SMILESClc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C11H11ClN2OS/c12-8-1-2-9-10(7-8)16-11(13-9)14-3-5-15-6-4-14/h1-2,7H,3-6H2
InChIKeyWZVBFKNDFYWFFW-UHFFFAOYSA-N
XLogP2.79
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134
6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole
CID 166603229
6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081569
4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 25499411
6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole
CID 71083482
N-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20889729
N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261537
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 41115268
N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine
CID 83018453
6-chloro-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121083465
6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride
CID 131730289
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 44917313

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1,3-benzothiazol-2-yl)morpholine?
The IUPAC name of 4-(6-chloro-1,3-benzothiazol-2-yl)morpholine (CID 2741382) is 4-(6-chloro-1,3-benzothiazol-2-yl)morpholine.
What is the SMILES notation for 4-(6-chloro-1,3-benzothiazol-2-yl)morpholine?
The canonical SMILES for 4-(6-chloro-1,3-benzothiazol-2-yl)morpholine is Clc1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of 4-(6-chloro-1,3-benzothiazol-2-yl)morpholine?
The InChIKey is WZVBFKNDFYWFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c12-8-1-2-9-10(7-8)16-11(13-9)14-3-5-15-6-4-14/h1-2,7H,3-6H2.
What are the key properties of 4-(6-chloro-1,3-benzothiazol-2-yl)morpholine?
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine has a molecular weight of 254.74 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1,3-benzothiazol-2-yl)morpholine is sourced from PubChem (CID 2741382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).