2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole

C11H11N3S — CID 146331604

IUPAC2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole
SMILESCn1cnc2cc(C3=NCCS3)ccc21
InChIInChI=1S/C11H11N3S/c1-14-7-13-9-6-8(2-3-10(9)14)11-12-4-5-15-11/h2-3,6-7H,4-5H2,1H3
InChIKeySHRFKBCMFMIAJR-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.07
Rot. Bonds1

About 2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole

2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 146331604) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole
PubChem CID146331604
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole
SMILESCn1cnc2cc(C3=NCCS3)ccc21
InChIInChI=1S/C11H11N3S/c1-14-7-13-9-6-8(2-3-10(9)14)11-12-4-5-15-11/h2-3,6-7H,4-5H2,1H3
InChIKeySHRFKBCMFMIAJR-UHFFFAOYSA-N
XLogP2.07
TPSA30.18 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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole (CID 146331604) is 2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole is Cn1cnc2cc(C3=NCCS3)ccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is SHRFKBCMFMIAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-14-7-13-9-6-8(2-3-10(9)14)11-12-4-5-15-11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole?
2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 217.30 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 146331604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).