6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine

C14H16N4S — CID 79142595

IUPAC6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NCCc3nccn3C)sc2c1
InChIInChI=1S/C14H16N4S/c1-10-3-4-11-12(9-10)19-14(17-11)16-6-5-13-15-7-8-18(13)2/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)
InChIKeyGEGRHCMRTLRARJ-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.99
Rot. Bonds4

About 6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine

6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 79142595) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID79142595
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NCCc3nccn3C)sc2c1
InChIInChI=1S/C14H16N4S/c1-10-3-4-11-12(9-10)19-14(17-11)16-6-5-13-15-7-8-18(13)2/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)
InChIKeyGEGRHCMRTLRARJ-UHFFFAOYSA-N
XLogP2.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-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

6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79142765
6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
CID 79142258
6-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106419883
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)butane-1,4-diamine
CID 79142843
6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79142262
N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 63239425
6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 114516288
N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79143005
N'-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79142175
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82192999

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine (CID 79142595) is 6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine is Cc1ccc2nc(NCCc3nccn3C)sc2c1.
What is the InChIKey of 6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is GEGRHCMRTLRARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-10-3-4-11-12(9-10)19-14(17-11)16-6-5-13-15-7-8-18(13)2/h3-4,7-9H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine?
6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 272.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).