N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide

C13H17N3OS — CID 114003189

IUPACN-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C13H17N3OS/c1-3-9(2)14-7-13(17)16-10-4-5-11-12(6-10)18-8-15-11/h4-6,8-9,14H,3,7H2,1-2H3,(H,16,17)
InChIKeyBMFJAHKTMRXWFF-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.62
Rot. Bonds5

About N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide

N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide (PubChem CID 114003189) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide
PubChem CID114003189
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C13H17N3OS/c1-3-9(2)14-7-13(17)16-10-4-5-11-12(6-10)18-8-15-11/h4-6,8-9,14H,3,7H2,1-2H3,(H,16,17)
InChIKeyBMFJAHKTMRXWFF-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60853212
N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide
CID 41085216
N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide
CID 107805211
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide
CID 107801616
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide
CID 103809416
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003191
N-(1,3-benzothiazol-6-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
CID 107806503
N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 103936349
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide
CID 60852680

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide (CID 114003189) is N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide is CCC(C)NCC(=O)Nc1ccc2ncsc2c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide?
The InChIKey is BMFJAHKTMRXWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-9(2)14-7-13(17)16-10-4-5-11-12(6-10)18-8-15-11/h4-6,8-9,14H,3,7H2,1-2H3,(H,16,17).
What are the key properties of N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide?
N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide has a molecular weight of 263.37 g/mol, XLogP of 2.62, 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-6-yl)-2-(butan-2-ylamino)acetamide is sourced from PubChem (CID 114003189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).