N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine

C14H16N4S — CID 66135636

IUPACN-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCCn1cncc1CNc1ccc2nc(C)sc2c1
InChIInChI=1S/C14H16N4S/c1-3-18-9-15-7-12(18)8-16-11-4-5-13-14(6-11)19-10(2)17-13/h4-7,9,16H,3,8H2,1-2H3
InChIKeyYRNJVKPGICHFSA-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.43
Rot. Bonds4

About N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine

N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 66135636) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine
PubChem CID66135636
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCCn1cncc1CNc1ccc2nc(C)sc2c1
InChIInChI=1S/C14H16N4S/c1-3-18-9-15-7-12(18)8-16-11-4-5-13-14(6-11)19-10(2)17-13/h4-7,9,16H,3,8H2,1-2H3
InChIKeyYRNJVKPGICHFSA-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 43682709
N-[(3-ethylimidazol-4-yl)methyl]-3-iodo-4-methylaniline
CID 66134200
N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 66387136
N-[(3-ethylimidazol-4-yl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 66135281
N-[(3-ethylimidazol-4-yl)methyl]-1,3-benzodioxol-5-amine
CID 66116957
N-[(2,4-difluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682594
N-[(3-ethylimidazol-4-yl)methyl]-3-methyl-4-nitroaniline
CID 66133434
N-[(3-ethylimidazol-4-yl)methyl]-3-fluoro-4-methoxyaniline
CID 66135424
4-bromo-N-[(3-ethylimidazol-4-yl)methyl]-3-(trifluoromethyl)aniline
CID 66133375
2-methyl-N-octyl-1,3-benzothiazol-6-amine
CID 43682586
2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 43682641
4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide
CID 66133167

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine (CID 66135636) is N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine is CCn1cncc1CNc1ccc2nc(C)sc2c1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is YRNJVKPGICHFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-3-18-9-15-7-12(18)8-16-11-4-5-13-14(6-11)19-10(2)17-13/h4-7,9,16H,3,8H2,1-2H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine?
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 272.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 66135636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).