N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide

C13H17N3OS — CID 60730154

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C13H17N3OS/c1-9(2)14-7-12(17)15-8-13-16-10-5-3-4-6-11(10)18-13/h3-6,9,14H,7-8H2,1-2H3,(H,15,17)
InChIKeyDOIWAWJXXGWTAH-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.91
Rot. Bonds5

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

N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide (PubChem CID 60730154) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide
PubChem CID60730154
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C13H17N3OS/c1-9(2)14-7-12(17)15-8-13-16-10-5-3-4-6-11(10)18-13/h3-6,9,14H,7-8H2,1-2H3,(H,15,17)
InChIKeyDOIWAWJXXGWTAH-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-propan-2-ylsulfanylacetamide
CID 31848340
N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
CID 60657144
(2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride
CID 119269745
N-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18110779
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
CID 47098657
1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea
CID 75415093
N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119686710
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide
CID 103601969
4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide
CID 61248575
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 18110654
N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24543366

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide (CID 60730154) is N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is DOIWAWJXXGWTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(2)14-7-12(17)15-8-13-16-10-5-3-4-6-11(10)18-13/h3-6,9,14H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 263.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60730154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).