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

C16H15N3OS — CID 103809401

IUPAC3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide
SMILESNCC(C(=O)Nc1ccc2ncsc2c1)c1ccccc1
InChIInChI=1S/C16H15N3OS/c17-9-13(11-4-2-1-3-5-11)16(20)19-12-6-7-14-15(8-12)21-10-18-14/h1-8,10,13H,9,17H2,(H,19,20)
InChIKeyUVXQYYVPHYOMOM-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.98
Rot. Bonds4

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

3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide (PubChem CID 103809401) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide
PubChem CID103809401
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide
SMILESNCC(C(=O)Nc1ccc2ncsc2c1)c1ccccc1
InChIInChI=1S/C16H15N3OS/c17-9-13(11-4-2-1-3-5-11)16(20)19-12-6-7-14-15(8-12)21-10-18-14/h1-8,10,13H,9,17H2,(H,19,20)
InChIKeyUVXQYYVPHYOMOM-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide
CID 107805412
2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide
CID 135386759
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide
CID 103809416
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide
CID 107805211
2-amino-N-(1,3-benzothiazol-6-yl)hexanamide
CID 103832730
(2S)-2,5-diamino-N-[(2R)-1-(1,3-benzothiazol-6-ylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide
CID 11718825
3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
CID 103808686
N-(1,3-benzothiazol-6-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
CID 107806503
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
(E)-4-(1,3-benzothiazol-6-ylcarbamoylamino)-4-oxobut-2-enoic acid
CID 107805868
N-(1,3-benzothiazol-6-yl)-3-(3,4-dihydroxyphenyl)-2-methylpropanamide
CID 112525772

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide (CID 103809401) is 3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide is NCC(C(=O)Nc1ccc2ncsc2c1)c1ccccc1.
What is the InChIKey of 3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide?
The InChIKey is UVXQYYVPHYOMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-9-13(11-4-2-1-3-5-11)16(20)19-12-6-7-14-15(8-12)21-10-18-14/h1-8,10,13H,9,17H2,(H,19,20).
What are the key properties of 3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide?
3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide has a molecular weight of 297.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide is sourced from PubChem (CID 103809401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).