2-morpholin-4-yl-N,N-dipropyl-1,3-benzothiazol-7-amine

C17H25N3OS — CID 58896534

IUPAC2-morpholin-4-yl-N,N-dipropyl-1,3-benzothiazol-7-amine
SMILESCCCN(CCC)c1cccc2nc(N3CCOCC3)sc12
InChIInChI=1S/C17H25N3OS/c1-3-8-19(9-4-2)15-7-5-6-14-16(15)22-17(18-14)20-10-12-21-13-11-20/h5-7H,3-4,8-13H2,1-2H3
InChIKeyYERVRLQXZBEKDL-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.76
Rot. Bonds6

About 2-morpholin-4-yl-N,N-dipropyl-1,3-benzothiazol-7-amine

2-morpholin-4-yl-N,N-dipropyl-1,3-benzothiazol-7-amine (PubChem CID 58896534) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-morpholin-4-yl-N,N-dipropyl-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-N,N-dipropyl-1,3-benzothiazol-7-amine
PubChem CID58896534
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name2-morpholin-4-yl-N,N-dipropyl-1,3-benzothiazol-7-amine
SMILESCCCN(CCC)c1cccc2nc(N3CCOCC3)sc12
InChIInChI=1S/C17H25N3OS/c1-3-8-19(9-4-2)15-7-5-6-14-16(15)22-17(18-14)20-10-12-21-13-11-20/h5-7H,3-4,8-13H2,1-2H3
InChIKeyYERVRLQXZBEKDL-UHFFFAOYSA-N
XLogP3.76
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N,N-dipropyl-1,3-benzothiazol-7-amine?
The IUPAC name of 2-morpholin-4-yl-N,N-dipropyl-1,3-benzothiazol-7-amine (CID 58896534) is 2-morpholin-4-yl-N,N-dipropyl-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-morpholin-4-yl-N,N-dipropyl-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-morpholin-4-yl-N,N-dipropyl-1,3-benzothiazol-7-amine is CCCN(CCC)c1cccc2nc(N3CCOCC3)sc12.
What is the InChIKey of 2-morpholin-4-yl-N,N-dipropyl-1,3-benzothiazol-7-amine?
The InChIKey is YERVRLQXZBEKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-3-8-19(9-4-2)15-7-5-6-14-16(15)22-17(18-14)20-10-12-21-13-11-20/h5-7H,3-4,8-13H2,1-2H3.
What are the key properties of 2-morpholin-4-yl-N,N-dipropyl-1,3-benzothiazol-7-amine?
2-morpholin-4-yl-N,N-dipropyl-1,3-benzothiazol-7-amine has a molecular weight of 319.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N,N-dipropyl-1,3-benzothiazol-7-amine is sourced from PubChem (CID 58896534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).