N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine

C16H17N3S — CID 62503193

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
SMILESNCCc1ccc(CNc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H17N3S/c17-10-9-12-5-7-13(8-6-12)11-18-16-19-14-3-1-2-4-15(14)20-16/h1-8H,9-11,17H2,(H,18,19)
InChIKeyZIKDEFMDFRIFCR-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.41
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine

N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine (PubChem CID 62503193) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
PubChem CID62503193
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
SMILESNCCc1ccc(CNc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H17N3S/c17-10-9-12-5-7-13(8-6-12)11-18-16-19-14-3-1-2-4-15(14)20-16/h1-8H,9-11,17H2,(H,18,19)
InChIKeyZIKDEFMDFRIFCR-UHFFFAOYSA-N
XLogP3.41
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-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

N-benzyl-1,3-benzothiazol-2-amine
CID 617555
4-[(1,3-benzothiazol-2-ylamino)methyl]benzonitrile
CID 47267559
N'-(1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 24710896
N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 142733943
2-N-[(4-chlorophenyl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63231401
N,6-dibenzyl-1,3-benzothiazol-2-amine
CID 82548710
N-[[3-(chloromethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
CID 65028278
N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689
N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 32680270
N-[(4-aminopyrimidin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 133367223
N-(1,3-benzothiazol-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 114149292
3-(4-aminophenyl)-N-(1,3-benzothiazol-2-yl)propanamide
CID 61037275

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine (CID 62503193) is N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine is NCCc1ccc(CNc2nc3ccccc3s2)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine?
The InChIKey is ZIKDEFMDFRIFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c17-10-9-12-5-7-13(8-6-12)11-18-16-19-14-3-1-2-4-15(14)20-16/h1-8H,9-11,17H2,(H,18,19).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine?
N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine has a molecular weight of 283.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 62503193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).