2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C16H27N3OS — CID 62752150

IUPAC2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCC1COCCN1c1nc2c(s1)C(NC)CC(C)(C)C2
InChIInChI=1S/C16H27N3OS/c1-5-11-10-20-7-6-19(11)15-18-13-9-16(2,3)8-12(17-4)14(13)21-15/h11-12,17H,5-10H2,1-4H3
InChIKeyYTNPPXRMJIHYLU-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.99
Rot. Bonds3

About 2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62752150) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62752150
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCC1COCCN1c1nc2c(s1)C(NC)CC(C)(C)C2
InChIInChI=1S/C16H27N3OS/c1-5-11-10-20-7-6-19(11)15-18-13-9-16(2,3)8-12(17-4)14(13)21-15/h11-12,17H,5-10H2,1-4H3
InChIKeyYTNPPXRMJIHYLU-UHFFFAOYSA-N
XLogP2.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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 2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62752150) is 2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCC1COCCN1c1nc2c(s1)C(NC)CC(C)(C)C2.
What is the InChIKey of 2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is YTNPPXRMJIHYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-5-11-10-20-7-6-19(11)15-18-13-9-16(2,3)8-12(17-4)14(13)21-15/h11-12,17H,5-10H2,1-4H3.
What are the key properties of 2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 309.48 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylmorpholin-4-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62752150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).