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

C13H14N4S — CID 103756695

IUPACN-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine
SMILESCCn1ccnc1CNc1ccc2ncsc2c1
InChIInChI=1S/C13H14N4S/c1-2-17-6-5-14-13(17)8-15-10-3-4-11-12(7-10)18-9-16-11/h3-7,9,15H,2,8H2,1H3
InChIKeySBONIDKSTLKSFX-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.12
Rot. Bonds4

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

N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine (PubChem CID 103756695) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine
PubChem CID103756695
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine
SMILESCCn1ccnc1CNc1ccc2ncsc2c1
InChIInChI=1S/C13H14N4S/c1-2-17-6-5-14-13(17)8-15-10-3-4-11-12(7-10)18-9-16-11/h3-7,9,15H,2,8H2,1H3
InChIKeySBONIDKSTLKSFX-UHFFFAOYSA-N
XLogP3.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(1-ethylimidazol-2-yl)methyl]-4-fluoroaniline
CID 115693757
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 62352245
N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 103818834
3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 62356031
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 62356540
N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine
CID 103818874
[3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol
CID 62357927
N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline
CID 62350814
2-chloro-5-[(1-ethylimidazol-2-yl)methylamino]benzonitrile
CID 62357250
N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 115744020
N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfonylaniline
CID 62356891
N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 62350283

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine (CID 103756695) is N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine is CCn1ccnc1CNc1ccc2ncsc2c1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine?
The InChIKey is SBONIDKSTLKSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-2-17-6-5-14-13(17)8-15-10-3-4-11-12(7-10)18-9-16-11/h3-7,9,15H,2,8H2,1H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine?
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine has a molecular weight of 258.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 103756695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).