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

C11H9N3S — CID 612049

IUPAC4-(1-methylbenzimidazol-2-yl)-1,3-thiazole
SMILESCn1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C11H9N3S/c1-14-10-5-3-2-4-8(10)13-11(14)9-6-15-7-12-9/h2-7H,1H3
InChIKeyCSAHSZPPHOXJAP-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.70
Rot. Bonds1

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

4-(1-methylbenzimidazol-2-yl)-1,3-thiazole (PubChem CID 612049) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-2-yl)-1,3-thiazole
PubChem CID612049
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name4-(1-methylbenzimidazol-2-yl)-1,3-thiazole
SMILESCn1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C11H9N3S/c1-14-10-5-3-2-4-8(10)13-11(14)9-6-15-7-12-9/h2-7H,1H3
InChIKeyCSAHSZPPHOXJAP-UHFFFAOYSA-N
XLogP2.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5430
1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole
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2-[2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazol-1-yl]acetic acid
CID 3000086
5-(methylsulfanyl)-1-phenyl-1H-1,3-benzodiazole
CID 5328514
9-butyl-8-[(7-fluoro-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850833
1-Methyl-2-thiophen-2-ylbenzimidazole
CID 931177
[1,3]Thiazolo[3,2-a]benzimidazole
CID 658562
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-phenyl-1,3-thiazol-2-amine
CID 697303
4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine
CID 776692
1-Isopropyl-2-thiophen-2-yl-1H-benzoimidazole
CID 949166
1H-Benzimidazol-5-amine, 2-(4-thiazolyl)-
CID 134912
N-(3-(1H-imidazol-1-yl)propyl)benzo[d]thiazol-2-amine
CID 6539203

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-2-yl)-1,3-thiazole?
The IUPAC name of 4-(1-methylbenzimidazol-2-yl)-1,3-thiazole (CID 612049) is 4-(1-methylbenzimidazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1-methylbenzimidazol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(1-methylbenzimidazol-2-yl)-1,3-thiazole is Cn1c(-c2cscn2)nc2ccccc21.
What is the InChIKey of 4-(1-methylbenzimidazol-2-yl)-1,3-thiazole?
The InChIKey is CSAHSZPPHOXJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c1-14-10-5-3-2-4-8(10)13-11(14)9-6-15-7-12-9/h2-7H,1H3.
What are the key properties of 4-(1-methylbenzimidazol-2-yl)-1,3-thiazole?
4-(1-methylbenzimidazol-2-yl)-1,3-thiazole has a molecular weight of 215.28 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 612049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).