N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide

C16H21N3O2S — CID 59725477

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide
SMILESCc1ccc2nc(NC(=O)CCCN3CCOCC3)sc2c1
InChIInChI=1S/C16H21N3O2S/c1-12-4-5-13-14(11-12)22-16(17-13)18-15(20)3-2-6-19-7-9-21-10-8-19/h4-5,11H,2-3,6-10H2,1H3,(H,17,18,20)
InChIKeyMFULZXCVTWUBAX-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.66
Rot. Bonds5

About N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide

N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide (PubChem CID 59725477) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide
PubChem CID59725477
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide
SMILESCc1ccc2nc(NC(=O)CCCN3CCOCC3)sc2c1
InChIInChI=1S/C16H21N3O2S/c1-12-4-5-13-14(11-12)22-16(17-13)18-15(20)3-2-6-19-7-9-21-10-8-19/h4-5,11H,2-3,6-10H2,1H3,(H,17,18,20)
InChIKeyMFULZXCVTWUBAX-UHFFFAOYSA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-3-morpholin-4-ylpropanamide
CID 110688525
4-(4-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxobutanamide
CID 108740884
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686960
4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide
CID 108763424
3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 18126296
2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740895
4-pyrrolidin-1-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide
CID 122656794
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18126299
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 108740918
4-(2-chlorophenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide
CID 108763482
2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740900
methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 110756987

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide (CID 59725477) is N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide is Cc1ccc2nc(NC(=O)CCCN3CCOCC3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide?
The InChIKey is MFULZXCVTWUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12-4-5-13-14(11-12)22-16(17-13)18-15(20)3-2-6-19-7-9-21-10-8-19/h4-5,11H,2-3,6-10H2,1H3,(H,17,18,20).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide has a molecular weight of 319.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide is sourced from PubChem (CID 59725477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).