5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C16H27N3OS — CID 62749868

IUPAC5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCCNC1CC(C)(C)Cc2nc(N3CCOCC3)sc21
InChIInChI=1S/C16H27N3OS/c1-4-5-17-12-10-16(2,3)11-13-14(12)21-15(18-13)19-6-8-20-9-7-19/h12,17H,4-11H2,1-3H3
InChIKeyJZYOZYVFQHOSRI-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.99
Rot. Bonds4

About 5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62749868) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62749868
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCCNC1CC(C)(C)Cc2nc(N3CCOCC3)sc21
InChIInChI=1S/C16H27N3OS/c1-4-5-17-12-10-16(2,3)11-13-14(12)21-15(18-13)19-6-8-20-9-7-19/h12,17H,4-11H2,1-3H3
InChIKeyJZYOZYVFQHOSRI-UHFFFAOYSA-N
XLogP2.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.99
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-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62749868) is 5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCCNC1CC(C)(C)Cc2nc(N3CCOCC3)sc21.
What is the InChIKey of 5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is JZYOZYVFQHOSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-5-17-12-10-16(2,3)11-13-14(12)21-15(18-13)19-6-8-20-9-7-19/h12,17H,4-11H2,1-3H3.
What are the key properties of 5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 309.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62749868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).