N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine

C11H12ClN3OS — CID 83018453

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine
SMILESClc1ccc2nc(NN3CCOCC3)sc2c1
InChIInChI=1S/C11H12ClN3OS/c12-8-1-2-9-10(7-8)17-11(13-9)14-15-3-5-16-6-4-15/h1-2,7H,3-6H2,(H,13,14)
InChIKeyZWUWKGBJDBSQNW-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.61
Rot. Bonds2

About N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine

N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine (PubChem CID 83018453) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine
PubChem CID83018453
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine
SMILESClc1ccc2nc(NN3CCOCC3)sc2c1
InChIInChI=1S/C11H12ClN3OS/c12-8-1-2-9-10(7-8)17-11(13-9)14-15-3-5-16-6-4-15/h1-2,7H,3-6H2,(H,13,14)
InChIKeyZWUWKGBJDBSQNW-UHFFFAOYSA-N
XLogP2.61
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide
CID 110688525
N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028174
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine
CID 83017969
N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide
CID 18553490
2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide
CID 40613036
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide
CID 108782575
6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 43969130
6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine
CID 114114194
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine (CID 83018453) is N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine is Clc1ccc2nc(NN3CCOCC3)sc2c1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine?
The InChIKey is ZWUWKGBJDBSQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c12-8-1-2-9-10(7-8)17-11(13-9)14-15-3-5-16-6-4-15/h1-2,7H,3-6H2,(H,13,14).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine?
N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine has a molecular weight of 269.76 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine is sourced from PubChem (CID 83018453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).