N-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine

C14H19N3OS — CID 54360291

IUPACN-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine
SMILESCN(CCN1CCOCC1)c1nsc2ccccc12
InChIInChI=1S/C14H19N3OS/c1-16(6-7-17-8-10-18-11-9-17)14-12-4-2-3-5-13(12)19-15-14/h2-5H,6-11H2,1H3
InChIKeyUMAQQIGMAHNHNU-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.06
Rot. Bonds4

About N-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine

N-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine (PubChem CID 54360291) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine
PubChem CID54360291
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine
SMILESCN(CCN1CCOCC1)c1nsc2ccccc12
InChIInChI=1S/C14H19N3OS/c1-16(6-7-17-8-10-18-11-9-17)14-12-4-2-3-5-13(12)19-15-14/h2-5H,6-11H2,1H3
InChIKeyUMAQQIGMAHNHNU-UHFFFAOYSA-N
XLogP2.06
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 123906232
3-[methyl(2-morpholin-4-ylethyl)amino]-1,2-benzoxazol-5-ol
CID 18796459
N-benzhydryl-N-methyl-2-morpholin-4-ylethanamine;hydrochloride
CID 54600904
5-ethyl-N-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 72890839
4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine
CID 170870860
4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 158025581
N,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine
CID 63266342
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 7622272
N-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine
CID 66353414
N-(1,3-benzothiazol-2-yl)-3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide
CID 29137416
2-N-methyl-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine
CID 59225426
2-N,2-N,4-N-trimethyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 75422017

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine?
The IUPAC name of N-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine (CID 54360291) is N-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine?
The canonical SMILES for N-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine is CN(CCN1CCOCC1)c1nsc2ccccc12.
What is the InChIKey of N-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine?
The InChIKey is UMAQQIGMAHNHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-16(6-7-17-8-10-18-11-9-17)14-12-4-2-3-5-13(12)19-15-14/h2-5H,6-11H2,1H3.
What are the key properties of N-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine?
N-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine has a molecular weight of 277.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine is sourced from PubChem (CID 54360291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).