(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide

C16H19N3O3S — CID 95272006

IUPAC(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)[C@@H]1CCOC1
InChIInChI=1S/C16H19N3O3S/c20-15(11-3-6-22-10-11)17-12-1-2-13-14(9-12)23-16(18-13)19-4-7-21-8-5-19/h1-2,9,11H,3-8,10H2,(H,17,20)/t11-/m1/s1
InChIKeyXQIVKHPJJVBZER-LLVKDONJSA-N
MW333.41 g/mol
LogP2.11
Rot. Bonds3

About (3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide

(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide (PubChem CID 95272006) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide
PubChem CID95272006
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)[C@@H]1CCOC1
InChIInChI=1S/C16H19N3O3S/c20-15(11-3-6-22-10-11)17-12-1-2-13-14(9-12)23-16(18-13)19-4-7-21-8-5-19/h1-2,9,11H,3-8,10H2,(H,17,20)/t11-/m1/s1
InChIKeyXQIVKHPJJVBZER-LLVKDONJSA-N
XLogP2.11
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719254
3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119833449
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
CID 43066360
(2S,5R)-5-(aminomethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 120797130
(2R)-1-methylsulfonyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide
CID 32622162
1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea
CID 75466716
(1R,2R,4S)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98291832
2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 120797488
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride
CID 119833487
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557962

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide?
The IUPAC name of (3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide (CID 95272006) is (3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide is O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide?
The InChIKey is XQIVKHPJJVBZER-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-15(11-3-6-22-10-11)17-12-1-2-13-14(9-12)23-16(18-13)19-4-7-21-8-5-19/h1-2,9,11H,3-8,10H2,(H,17,20)/t11-/m1/s1.
What are the key properties of (3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide?
(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide is sourced from PubChem (CID 95272006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).