N-(3-imidazol-1-ylpropyl)-6-methoxy-1,3-benzothiazol-2-amine

C14H16N4OS — CID 6539205

IUPACN-(3-imidazol-1-ylpropyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCCCn3ccnc3)sc2c1
InChIInChI=1S/C14H16N4OS/c1-19-11-3-4-12-13(9-11)20-14(17-12)16-5-2-7-18-8-6-15-10-18/h3-4,6,8-10H,2,5,7H2,1H3,(H,16,17)
InChIKeyQHOYZXWCDBWHKH-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.00
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-6-methoxy-1,3-benzothiazol-2-amine

N-(3-imidazol-1-ylpropyl)-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 6539205) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID6539205
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCCCn3ccnc3)sc2c1
InChIInChI=1S/C14H16N4OS/c1-19-11-3-4-12-13(9-11)20-14(17-12)16-5-2-7-18-8-6-15-10-18/h3-4,6,8-10H,2,5,7H2,1H3,(H,16,17)
InChIKeyQHOYZXWCDBWHKH-UHFFFAOYSA-N
XLogP3.00
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-imidazol-1-ylpropyl)-6-methoxy-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

JK184
CID 1069686
N-(4-methoxyphenyl)-2-(2-thiazol-4-ylbenzimidazol-1-yl)acetamide
CID 6618978
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
N-(2-aminoethyl)-4-(3-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093436
N-(2-aminoethyl)-4-(4-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093437
3-(6-Methoxy-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one
CID 2933339
6-methoxy-N-(4-(pyridin-4-yl)thiazol-2-yl)benzo[d]thiazol-2-amine
CID 7086347
6-Methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
CID 657882
N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 667521
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 2877432
N-(4-ethoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
CID 2877569
N-(4-Methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)thiazol-2-amine hydrobromide
CID 2877597

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-methoxy-1,3-benzothiazol-2-amine (CID 6539205) is N-(3-imidazol-1-ylpropyl)-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(NCCCn3ccnc3)sc2c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is QHOYZXWCDBWHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-19-11-3-4-12-13(9-11)20-14(17-12)16-5-2-7-18-8-6-15-10-18/h3-4,6,8-10H,2,5,7H2,1H3,(H,16,17).
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-methoxy-1,3-benzothiazol-2-amine?
N-(3-imidazol-1-ylpropyl)-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 288.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 6539205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).