2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide

C15H17N3O3S — CID 18163807

IUPAC2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide
SMILESO=C(COCc1nc2ccccc2s1)NCC(=O)NC1CC1
InChIInChI=1S/C15H17N3O3S/c19-13(17-10-5-6-10)7-16-14(20)8-21-9-15-18-11-3-1-2-4-12(11)22-15/h1-4,10H,5-9H2,(H,16,20)(H,17,19)
InChIKeyNXPHMVOZHWNLMQ-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.21
Rot. Bonds7

About 2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide

2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide (PubChem CID 18163807) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide
PubChem CID18163807
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide
SMILESO=C(COCc1nc2ccccc2s1)NCC(=O)NC1CC1
InChIInChI=1S/C15H17N3O3S/c19-13(17-10-5-6-10)7-16-14(20)8-21-9-15-18-11-3-1-2-4-12(11)22-15/h1-4,10H,5-9H2,(H,16,20)(H,17,19)
InChIKeyNXPHMVOZHWNLMQ-UHFFFAOYSA-N
XLogP1.21
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090
4-[3-(1,3-benzothiazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 163306556
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide
CID 24537642
3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide
CID 9215184
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide
CID 43012669
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 9159715
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-thiophen-3-ylethyl)acetamide
CID 46399966
N-(4-aminocyclohexyl)-4-(1,3-benzothiazol-2-yl)butanamide;dihydrochloride
CID 119478669
2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 24548350
2-(1,3-benzothiazol-2-ylmethoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24550639
[2-oxo-2-(propylamino)ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate
CID 8519188
N-[2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]ethyl]furan-2-carboxamide
CID 43049275

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide (CID 18163807) is 2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide is O=C(COCc1nc2ccccc2s1)NCC(=O)NC1CC1.
What is the InChIKey of 2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide?
The InChIKey is NXPHMVOZHWNLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-13(17-10-5-6-10)7-16-14(20)8-21-9-15-18-11-3-1-2-4-12(11)22-15/h1-4,10H,5-9H2,(H,16,20)(H,17,19).
What are the key properties of 2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide?
2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide has a molecular weight of 319.39 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide is sourced from PubChem (CID 18163807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).