2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide

C10H11N3O2S — CID 135386759

IUPAC2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide
SMILESNC(CO)C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C10H11N3O2S/c11-7(4-14)10(15)13-6-1-2-8-9(3-6)16-5-12-8/h1-3,5,7,14H,4,11H2,(H,13,15)
InChIKeySVKMVEWTDWFLEG-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.55
Rot. Bonds3

About 2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide

2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide (PubChem CID 135386759) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide
PubChem CID135386759
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide
SMILESNC(CO)C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C10H11N3O2S/c11-7(4-14)10(15)13-6-1-2-8-9(3-6)16-5-12-8/h1-3,5,7,14H,4,11H2,(H,13,15)
InChIKeySVKMVEWTDWFLEG-UHFFFAOYSA-N
XLogP0.55
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1,3-benzothiazol-6-yl)hexanamide
CID 103832730
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide
CID 103809416
3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide
CID 103809401
N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide
CID 107805211
N-(1,3-benzothiazol-6-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
CID 107806503
N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide
CID 107801616
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003191
(2S)-2,5-diamino-N-[(2R)-1-(1,3-benzothiazol-6-ylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide
CID 11718825
2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate
CID 103280971

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide (CID 135386759) is 2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide is NC(CO)C(=O)Nc1ccc2ncsc2c1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide?
The InChIKey is SVKMVEWTDWFLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c11-7(4-14)10(15)13-6-1-2-8-9(3-6)16-5-12-8/h1-3,5,7,14H,4,11H2,(H,13,15).
What are the key properties of 2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide?
2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide has a molecular weight of 237.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide is sourced from PubChem (CID 135386759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).