N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine

C13H14N4S2 — CID 133426341

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCc2nc3ccccc3s2)n1
InChIInChI=1S/C13H14N4S2/c1-2-11-16-13(19-17-11)14-8-7-12-15-9-5-3-4-6-10(9)18-12/h3-6H,2,7-8H2,1H3,(H,14,16,17)
InChIKeyRHNDYBDKPRRWBV-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.36
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine

N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 133426341) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID133426341
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCc2nc3ccccc3s2)n1
InChIInChI=1S/C13H14N4S2/c1-2-11-16-13(19-17-11)14-8-7-12-15-9-5-3-4-6-10(9)18-12/h3-6H,2,7-8H2,1H3,(H,14,16,17)
InChIKeyRHNDYBDKPRRWBV-UHFFFAOYSA-N
XLogP3.36
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine 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

5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 79819322
2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methylpropanamide;hydrochloride
CID 119272618
(2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]butanamide;hydrochloride
CID 119272637
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
2-(4,4-dimethylpentyl)-1,3-benzothiazole
CID 129255452
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
CID 78818873
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide;hydrochloride
CID 119272631
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-methylheptan-3-amine
CID 43094200
N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
CID 133335037
1-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbutane-1,2-diamine
CID 83961929
2-(1,3-benzothiazol-2-ylamino)ethanethiol;hydrochloride
CID 44537905

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine (CID 133426341) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NCCc2nc3ccccc3s2)n1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is RHNDYBDKPRRWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-2-11-16-13(19-17-11)14-8-7-12-15-9-5-3-4-6-10(9)18-12/h3-6H,2,7-8H2,1H3,(H,14,16,17).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 290.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133426341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).