3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

C15H23N3O2S — CID 51101621

IUPAC3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESCCCC1CCc2nc(NC(=O)CCNC(C)=O)sc2C1
InChIInChI=1S/C15H23N3O2S/c1-3-4-11-5-6-12-13(9-11)21-15(17-12)18-14(20)7-8-16-10(2)19/h11H,3-9H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyANKJGXDZAYAKLP-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.51
Rot. Bonds6

About 3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 51101621) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
PubChem CID51101621
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESCCCC1CCc2nc(NC(=O)CCNC(C)=O)sc2C1
InChIInChI=1S/C15H23N3O2S/c1-3-4-11-5-6-12-13(9-11)21-15(17-12)18-14(20)7-8-16-10(2)19/h11H,3-9H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyANKJGXDZAYAKLP-UHFFFAOYSA-N
XLogP2.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(methylsulfonyl)amino]-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 60610311
N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119311177
N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62941430
(2S,4S)-2-methyl-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120629236
1-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanone
CID 63526150
(3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide
CID 99699028
2-[(3-bromophenyl)methylsulfonyl]-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 52817496
N-[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-oxo-11-sulfanylundecanamide;heptan-1-amine
CID 159360435
(2R,3S)-2-methyl-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)morpholine-3-carboxamide
CID 120929484
N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide
CID 160641227
2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 60610265
N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 94666300

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (CID 51101621) is 3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is CCCC1CCc2nc(NC(=O)CCNC(C)=O)sc2C1.
What is the InChIKey of 3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is ANKJGXDZAYAKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-4-11-5-6-12-13(9-11)21-15(17-12)18-14(20)7-8-16-10(2)19/h11H,3-9H2,1-2H3,(H,16,19)(H,17,18,20).
What are the key properties of 3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 309.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 51101621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).