(3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide

C15H23N3O2S — CID 99699028

IUPAC(3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide
SMILESCCC[C@@H]1CCc2nc(NC(=O)[C@@H]3COCCN3)sc2C1
InChIInChI=1S/C15H23N3O2S/c1-2-3-10-4-5-11-13(8-10)21-15(17-11)18-14(19)12-9-20-7-6-16-12/h10,12,16H,2-9H2,1H3,(H,17,18,19)/t10-,12+/m1/s1
InChIKeyIZALWLNLJZTKIU-PWSUYJOCSA-N
MW309.44 g/mol
LogP1.98
Rot. Bonds4

About (3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide

(3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide (PubChem CID 99699028) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide
PubChem CID99699028
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide
SMILESCCC[C@@H]1CCc2nc(NC(=O)[C@@H]3COCCN3)sc2C1
InChIInChI=1S/C15H23N3O2S/c1-2-3-10-4-5-11-13(8-10)21-15(17-11)18-14(19)12-9-20-7-6-16-12/h10,12,16H,2-9H2,1H3,(H,17,18,19)/t10-,12+/m1/s1
InChIKeyIZALWLNLJZTKIU-PWSUYJOCSA-N
XLogP1.98
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide with MolForge

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Related Compounds

(2R,3S)-2-methyl-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)morpholine-3-carboxamide
CID 120929484
N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119311177
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide
CID 119700429
(2S,4S)-2-methyl-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120629236
N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62941430
3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 51101621
2-[methyl(methylsulfonyl)amino]-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 60610311
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidine-2-carboxamide
CID 119317036
N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 119755286
trans-(1S,2S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 97098157
1-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanone
CID 63526150
2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
CID 120786534

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide?
The IUPAC name of (3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide (CID 99699028) is (3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide is CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3COCCN3)sc2C1.
What is the InChIKey of (3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide?
The InChIKey is IZALWLNLJZTKIU-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-2-3-10-4-5-11-13(8-10)21-15(17-11)18-14(19)12-9-20-7-6-16-12/h10,12,16H,2-9H2,1H3,(H,17,18,19)/t10-,12+/m1/s1.
What are the key properties of (3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide?
(3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide is sourced from PubChem (CID 99699028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).