4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine

C13H13BrN4S — CID 79401861

IUPAC4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
SMILESCCn1c(-c2c(C)nsc2N)nc2cc(Br)ccc21
InChIInChI=1S/C13H13BrN4S/c1-3-18-10-5-4-8(14)6-9(10)16-13(18)11-7(2)17-19-12(11)15/h4-6H,3,15H2,1-2H3
InChIKeyFPAQOXHHOJQXRI-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.83
Rot. Bonds2

About 4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine

4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine (PubChem CID 79401861) has the molecular formula C13H13BrN4S and a molecular weight of 337.25 g/mol. Its IUPAC name is 4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
PubChem CID79401861
Molecular FormulaC13H13BrN4S
Molecular Weight337.25 g/mol
Exact Mass336.00
IUPAC Name4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
SMILESCCn1c(-c2c(C)nsc2N)nc2cc(Br)ccc21
InChIInChI=1S/C13H13BrN4S/c1-3-18-10-5-4-8(14)6-9(10)16-13(18)11-7(2)17-19-12(11)15/h4-6H,3,15H2,1-2H3
InChIKeyFPAQOXHHOJQXRI-UHFFFAOYSA-N
XLogP3.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-2-amine
CID 60785058
3-(5-bromo-1-ethylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614505
2-(5-bromo-1-ethylbenzimidazol-2-yl)thiophen-3-amine
CID 60783962
2-(5-bromo-1-ethylbenzimidazol-2-yl)-4-iodoaniline
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3-(5-bromo-1-ethylbenzimidazol-2-yl)-4-fluoroaniline
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2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline
CID 107049833
2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903750
2-(5-bromo-1-propylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813268
4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine
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5-bromo-1-ethylbenzimidazole-2-carbaldehyde
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4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
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1-(5-bromo-1-ethylbenzimidazol-2-yl)ethanol
CID 63023634

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of 4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine (CID 79401861) is 4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine is CCn1c(-c2c(C)nsc2N)nc2cc(Br)ccc21.
What is the InChIKey of 4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine?
The InChIKey is FPAQOXHHOJQXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4S/c1-3-18-10-5-4-8(14)6-9(10)16-13(18)11-7(2)17-19-12(11)15/h4-6H,3,15H2,1-2H3.
What are the key properties of 4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine?
4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine has a molecular weight of 337.25 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 79401861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).