5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine

C13H16ClN3OS — CID 79072334

IUPAC5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCN1CCOC(CNc2nc3cc(Cl)ccc3s2)C1
InChIInChI=1S/C13H16ClN3OS/c1-17-4-5-18-10(8-17)7-15-13-16-11-6-9(14)2-3-12(11)19-13/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyZMYJOASOFYGAQN-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.69
Rot. Bonds3

About 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine

5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 79072334) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID79072334
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCN1CCOC(CNc2nc3cc(Cl)ccc3s2)C1
InChIInChI=1S/C13H16ClN3OS/c1-17-4-5-18-10(8-17)7-15-13-16-11-6-9(14)2-3-12(11)19-13/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyZMYJOASOFYGAQN-UHFFFAOYSA-N
XLogP2.69
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 54908439
5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 43371237
6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 43969130
3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 83107478
methyl 4-chloro-2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 78952494
3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133281000
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine
CID 63898413
4,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
CID 78952498
5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine
CID 63545700
N-(1,4-dioxan-2-ylmethyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 54908438
2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083271
2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
CID 106890563

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine (CID 79072334) is 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine is CN1CCOC(CNc2nc3cc(Cl)ccc3s2)C1.
What is the InChIKey of 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is ZMYJOASOFYGAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-17-4-5-18-10(8-17)7-15-13-16-11-6-9(14)2-3-12(11)19-13/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine?
5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 297.81 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79072334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).