2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide

C13H17N3OS — CID 113219085

IUPAC2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1nc2ccccc2s1
InChIInChI=1S/C13H17N3OS/c1-9(2)7-14-12(17)8-15-13-16-10-5-3-4-6-11(10)18-13/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyORJAQDTXMDRVNA-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.48
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide

2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide (PubChem CID 113219085) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide
PubChem CID113219085
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1nc2ccccc2s1
InChIInChI=1S/C13H17N3OS/c1-9(2)7-14-12(17)8-15-13-16-10-5-3-4-6-11(10)18-13/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyORJAQDTXMDRVNA-UHFFFAOYSA-N
XLogP2.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(methylamino)acetamide
CID 120703645
2-(1,3-benzothiazol-2-ylamino)-N-(pentan-3-ylideneamino)acetamide
CID 9030710
2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 112683781
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3,3-dimethylbutanamide
CID 47165966
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 9391063
(2S)-N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-ethoxypropanamide
CID 94809192
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 103603190
N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 79098958

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide (CID 113219085) is 2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide?
The InChIKey is ORJAQDTXMDRVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(2)7-14-12(17)8-15-13-16-10-5-3-4-6-11(10)18-13/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide?
2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide has a molecular weight of 263.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113219085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).