5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole

C15H18N4OS2 — CID 133425459

IUPAC5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole
SMILESCOCCn1c(Sc2nc(C(C)C)ns2)nc2ccccc21
InChIInChI=1S/C15H18N4OS2/c1-10(2)13-17-15(22-18-13)21-14-16-11-6-4-5-7-12(11)19(14)8-9-20-3/h4-7,10H,8-9H2,1-3H3
InChIKeyBQMABRCPNVBPKW-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.81
Rot. Bonds6

About 5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole

5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 133425459) has the molecular formula C15H18N4OS2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID133425459
Molecular FormulaC15H18N4OS2
Molecular Weight334.47 g/mol
Exact Mass334.09
IUPAC Name5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole
SMILESCOCCn1c(Sc2nc(C(C)C)ns2)nc2ccccc21
InChIInChI=1S/C15H18N4OS2/c1-10(2)13-17-15(22-18-13)21-14-16-11-6-4-5-7-12(11)19(14)8-9-20-3/h4-7,10H,8-9H2,1-3H3
InChIKeyBQMABRCPNVBPKW-UHFFFAOYSA-N
XLogP3.81
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole
CID 60586302
(2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7043417
2-methoxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanamine
CID 81078269
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 4026208
1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
CID 24629504
2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
CID 37133115
1-[1-(2-methoxyethyl)benzimidazol-2-yl]propan-1-amine
CID 62388121
5-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
CID 51259633
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
CID 112775589
tert-butyl 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetate
CID 84602163
1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole
CID 22509756
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole (CID 133425459) is 5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole is COCCn1c(Sc2nc(C(C)C)ns2)nc2ccccc21.
What is the InChIKey of 5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is BQMABRCPNVBPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS2/c1-10(2)13-17-15(22-18-13)21-14-16-11-6-4-5-7-12(11)19(14)8-9-20-3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole?
5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 334.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 133425459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).