N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide

C15H19N3O2S — CID 60507938

IUPACN-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide
SMILESCC1CN(C(C)C(=O)Nc2nc3ccccc3s2)CCO1
InChIInChI=1S/C15H19N3O2S/c1-10-9-18(7-8-20-10)11(2)14(19)17-15-16-12-5-3-4-6-13(12)21-15/h3-6,10-11H,7-9H2,1-2H3,(H,16,17,19)
InChIKeyMLTIYOGNDQVVQH-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.34
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide

N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide (PubChem CID 60507938) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide
PubChem CID60507938
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide
SMILESCC1CN(C(C)C(=O)Nc2nc3ccccc3s2)CCO1
InChIInChI=1S/C15H19N3O2S/c1-10-9-18(7-8-20-10)11(2)14(19)17-15-16-12-5-3-4-6-13(12)21-15/h3-6,10-11H,7-9H2,1-2H3,(H,16,17,19)
InChIKeyMLTIYOGNDQVVQH-UHFFFAOYSA-N
XLogP2.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]propanamide
CID 126824242
N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 50875700
N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 46699373
(2R)-2-[(2R)-2-methylmorpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 98716581
N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide
CID 60501385
N-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide
CID 119038988
2-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-(1,3-benzothiazol-2-yl)propanamide
CID 86892404
N-(2-ethoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46677597
N-(1,3-benzothiazol-2-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propanamide
CID 55830652
N-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46527680
(2S)-N-(1,3-benzothiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide
CID 99817572
(2S)-2-amino-N-(1,3-benzothiazol-2-yl)-3-methylbutanamide;hydrochloride
CID 119262464

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide (CID 60507938) is N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide is CC1CN(C(C)C(=O)Nc2nc3ccccc3s2)CCO1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide?
The InChIKey is MLTIYOGNDQVVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-9-18(7-8-20-10)11(2)14(19)17-15-16-12-5-3-4-6-13(12)21-15/h3-6,10-11H,7-9H2,1-2H3,(H,16,17,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide?
N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide has a molecular weight of 305.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide is sourced from PubChem (CID 60507938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).