2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole

C11H11N3S — CID 15176220

IUPAC2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole
SMILESCC1=NCCN1c1nc2ccccc2s1
InChIInChI=1S/C11H11N3S/c1-8-12-6-7-14(8)11-13-9-4-2-3-5-10(9)15-11/h2-5H,6-7H2,1H3
InChIKeyKOMXKKHGNFEGLH-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.53
Rot. Bonds1

About 2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole

2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole (PubChem CID 15176220) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole
PubChem CID15176220
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole
SMILESCC1=NCCN1c1nc2ccccc2s1
InChIInChI=1S/C11H11N3S/c1-8-12-6-7-14(8)11-13-9-4-2-3-5-10(9)15-11/h2-5H,6-7H2,1H3
InChIKeyKOMXKKHGNFEGLH-UHFFFAOYSA-N
XLogP2.53
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058
2-[(3S)-3-methylpiperazin-1-yl]-1,3-benzothiazole
CID 94450634
1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 141142598
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5,7-dimethyl-1,3-benzothiazole
CID 7110142
2-(1,3-benzothiazol-2-yl)-3-methyl-1H-1,2,4-triazol-5-one
CID 115371955
2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole
CID 79753561
5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 133493120
2-(tetrazol-2-yl)-1,3-benzothiazole
CID 10130426
1-(1,3-benzothiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710737
1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole
CID 161214850
CID 58036200
CID 58036200
2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-benzothiazole
CID 129479789

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole?
The IUPAC name of 2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole (CID 15176220) is 2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole is CC1=NCCN1c1nc2ccccc2s1.
What is the InChIKey of 2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole?
The InChIKey is KOMXKKHGNFEGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-8-12-6-7-14(8)11-13-9-4-2-3-5-10(9)15-11/h2-5H,6-7H2,1H3.
What are the key properties of 2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole?
2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole has a molecular weight of 217.30 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 15176220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).