5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C16H27N3OS — CID 79663127

IUPAC5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCC(C)N1CCOC(c2nc3c(s2)C(N)CC(C)(C)C3)C1
InChIInChI=1S/C16H27N3OS/c1-10(2)19-5-6-20-13(9-19)15-18-12-8-16(3,4)7-11(17)14(12)21-15/h10-11,13H,5-9,17H2,1-4H3
InChIKeyVAIGBVSBHRIYGM-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.90
Rot. Bonds2

About 5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine

5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 79663127) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID79663127
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCC(C)N1CCOC(c2nc3c(s2)C(N)CC(C)(C)C3)C1
InChIInChI=1S/C16H27N3OS/c1-10(2)19-5-6-20-13(9-19)15-18-12-8-16(3,4)7-11(17)14(12)21-15/h10-11,13H,5-9,17H2,1-4H3
InChIKeyVAIGBVSBHRIYGM-UHFFFAOYSA-N
XLogP2.90
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 79663127) is 5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CC(C)N1CCOC(c2nc3c(s2)C(N)CC(C)(C)C3)C1.
What is the InChIKey of 5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is VAIGBVSBHRIYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-10(2)19-5-6-20-13(9-19)15-18-12-8-16(3,4)7-11(17)14(12)21-15/h10-11,13H,5-9,17H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 309.48 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 79663127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).