2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide

C13H16N4O2S — CID 119956149

IUPAC2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NCCc1nc2ccccc2s1
InChIInChI=1S/C13H16N4O2S/c14-8(7-11(15)18)13(19)16-6-5-12-17-9-3-1-2-4-10(9)20-12/h1-4,8H,5-7,14H2,(H2,15,18)(H,16,19)
InChIKeyQOFNAWWHEJMPHX-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.16
Rot. Bonds6

About 2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide

2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide (PubChem CID 119956149) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide
PubChem CID119956149
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NCCc1nc2ccccc2s1
InChIInChI=1S/C13H16N4O2S/c14-8(7-11(15)18)13(19)16-6-5-12-17-9-3-1-2-4-10(9)20-12/h1-4,8H,5-7,14H2,(H2,15,18)(H,16,19)
InChIKeyQOFNAWWHEJMPHX-UHFFFAOYSA-N
XLogP0.16
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(1,3-benzothiazol-2-ylmethyl)butanediamide
CID 61247861
(2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanamide;hydrochloride
CID 119272637
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
CID 119272632
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide;hydrochloride
CID 119272631
2-amino-5-[2-(1,3-benzothiazol-2-yl)ethylamino]-5-oxopentanoic acid
CID 123251133
2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methylpropanamide;hydrochloride
CID 119272618
2-[[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 78818801
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
3-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 119692188
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 51207918
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(carbamoylamino)-3-(2-methylphenyl)propanamide
CID 86925589
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-methylphenoxy)propanamide
CID 51207939

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide?
The IUPAC name of 2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide (CID 119956149) is 2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide.
What is the SMILES notation for 2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide?
The canonical SMILES for 2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide is NC(=O)CC(N)C(=O)NCCc1nc2ccccc2s1.
What is the InChIKey of 2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide?
The InChIKey is QOFNAWWHEJMPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c14-8(7-11(15)18)13(19)16-6-5-12-17-9-3-1-2-4-10(9)20-12/h1-4,8H,5-7,14H2,(H2,15,18)(H,16,19).
What are the key properties of 2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide?
2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide has a molecular weight of 292.36 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanediamide is sourced from PubChem (CID 119956149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).