N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide

C14H17N3O2S — CID 66266629

IUPACN-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C14H17N3O2S/c1-15-11-8-19-7-9(11)14(18)16-6-13-17-10-4-2-3-5-12(10)20-13/h2-5,9,11,15H,6-8H2,1H3,(H,16,18)
InChIKeyLVUYQQSAEIEOQD-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.15
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66266629) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID66266629
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C14H17N3O2S/c1-15-11-8-19-7-9(11)14(18)16-6-13-17-10-4-2-3-5-12(10)20-13/h2-5,9,11,15H,6-8H2,1H3,(H,16,18)
InChIKeyLVUYQQSAEIEOQD-UHFFFAOYSA-N
XLogP1.15
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013892
2-(1,3-benzothiazol-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54867516
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-(1,3-benzothiazol-2-ylmethyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78778260
1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119686687
(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
CID 103808102
N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61248397
(2S,5R)-5-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)oxolane-2-carboxamide
CID 120784128
(4R)-N-(1,3-benzothiazol-2-ylmethyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125165859
(1R)-N-(1,3-benzothiazol-2-ylmethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 31101367
N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119269748

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide (CID 66266629) is N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is LVUYQQSAEIEOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-15-11-8-19-7-9(11)14(18)16-6-13-17-10-4-2-3-5-12(10)20-13/h2-5,9,11,15H,6-8H2,1H3,(H,16,18).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66266629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).