6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine

C14H19N3OS — CID 65348845

IUPAC6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCC1CN(Cc2ccc3nc(N)sc3c2)C(C)CO1
InChIInChI=1S/C14H19N3OS/c1-9-8-18-10(2)6-17(9)7-11-3-4-12-13(5-11)19-14(15)16-12/h3-5,9-10H,6-8H2,1-2H3,(H2,15,16)
InChIKeyBNXQPKIFYXDBOE-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.49
Rot. Bonds2

About 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine

6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 65348845) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID65348845
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCC1CN(Cc2ccc3nc(N)sc3c2)C(C)CO1
InChIInChI=1S/C14H19N3OS/c1-9-8-18-10(2)6-17(9)7-11-3-4-12-13(5-11)19-14(15)16-12/h3-5,9-10H,6-8H2,1-2H3,(H2,15,16)
InChIKeyBNXQPKIFYXDBOE-UHFFFAOYSA-N
XLogP2.49
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6-methylbenzothiazole
CID 17335
6-Ethyl-1,3-benzothiazol-2-amine
CID 773093
2-(4-Morpholinyl)benzothiazole
CID 77901
2-Morpholinobenzo[D]thiazol-6-amine
CID 2608752
Benzyl-(6-methyl-benzothiazol-2-yl)-amine
CID 2363758
1-[6-(2-Ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 71654755
4-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 3191997
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
N-(6-methyl-1,3-benzothiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 58088126
1-(2-Amino-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 162383187
6-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-2-amine
CID 168290644
4-(6-Fluorobenzo[d]thiazol-2-yl)morpholine
CID 7110129

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine (CID 65348845) is 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine is CC1CN(Cc2ccc3nc(N)sc3c2)C(C)CO1.
What is the InChIKey of 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is BNXQPKIFYXDBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-8-18-10(2)6-17(9)7-11-3-4-12-13(5-11)19-14(15)16-12/h3-5,9-10H,6-8H2,1-2H3,(H2,15,16).
What are the key properties of 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine?
6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 277.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 65348845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).