N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide

C12H13N3O2S — CID 119735663

IUPACN-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)C1CNCCO1
InChIInChI=1S/C12H13N3O2S/c16-12(10-6-13-3-4-17-10)15-8-1-2-11-9(5-8)14-7-18-11/h1-2,5,7,10,13H,3-4,6H2,(H,15,16)
InChIKeyTXDXGIZDMYYDLJ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.22
Rot. Bonds2

About N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide

N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide (PubChem CID 119735663) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide
PubChem CID119735663
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)C1CNCCO1
InChIInChI=1S/C12H13N3O2S/c16-12(10-6-13-3-4-17-10)15-8-1-2-11-9(5-8)14-7-18-11/h1-2,5,7,10,13H,3-4,6H2,(H,15,16)
InChIKeyTXDXGIZDMYYDLJ-UHFFFAOYSA-N
XLogP1.22
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide
CID 119296080
N-(6-bromo-3-pyridinyl)morpholine-2-carboxamide
CID 103813958
N-(6-fluoro-3-pyridinyl)morpholine-2-carboxamide
CID 103808720
N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 24865983
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide
CID 119839215
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-2-carboxamide
CID 119762149
N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride
CID 119725986
N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride
CID 119749017
N-(1,2-oxazol-3-yl)morpholine-2-carboxamide
CID 62903772

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide (CID 119735663) is N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide is O=C(Nc1ccc2scnc2c1)C1CNCCO1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide?
The InChIKey is TXDXGIZDMYYDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-12(10-6-13-3-4-17-10)15-8-1-2-11-9(5-8)14-7-18-11/h1-2,5,7,10,13H,3-4,6H2,(H,15,16).
What are the key properties of N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide?
N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide is sourced from PubChem (CID 119735663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).