N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide

C13H15N3O2S — CID 107805191

IUPACN-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C13H15N3O2S/c1-14-11-6-18-5-9(11)13(17)16-8-2-3-10-12(4-8)19-7-15-10/h2-4,7,9,11,14H,5-6H2,1H3,(H,16,17)
InChIKeyQBNSVXNWVWTKHR-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.47
Rot. Bonds3

About N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide

N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 107805191) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID107805191
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C13H15N3O2S/c1-14-11-6-18-5-9(11)13(17)16-8-2-3-10-12(4-8)19-7-15-10/h2-4,7,9,11,14H,5-6H2,1H3,(H,16,17)
InChIKeyQBNSVXNWVWTKHR-UHFFFAOYSA-N
XLogP1.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265081
N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267529
N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265960
3-(1,3-benzothiazol-6-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 107802901
N-(3-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267926
N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265988
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)oxolane-3-carboxamide
CID 66266381
N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 24865983
N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methylamino)oxolane-3-carboxamide
CID 66265019
N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265600
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267349
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266787

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide (CID 107805191) is N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)Nc1ccc2ncsc2c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is QBNSVXNWVWTKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-14-11-6-18-5-9(11)13(17)16-8-2-3-10-12(4-8)19-7-15-10/h2-4,7,9,11,14H,5-6H2,1H3,(H,16,17).
What are the key properties of N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide?
N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 107805191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).