5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole

C18H23N5S — CID 75471631

IUPAC5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCN1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H23N5S/c1-14-17(24-13-19-14)6-7-22-8-10-23(11-9-22)12-18-20-15-4-2-3-5-16(15)21-18/h2-5,13H,6-12H2,1H3,(H,20,21)
InChIKeyLWZWSYNTWQHULI-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.69
Rot. Bonds5

About 5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole

5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole (PubChem CID 75471631) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is 5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
PubChem CID75471631
Molecular FormulaC18H23N5S
Molecular Weight341.48 g/mol
Exact Mass341.17
IUPAC Name5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCN1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H23N5S/c1-14-17(24-13-19-14)6-7-22-8-10-23(11-9-22)12-18-20-15-4-2-3-5-16(15)21-18/h2-5,13H,6-12H2,1H3,(H,20,21)
InChIKeyLWZWSYNTWQHULI-UHFFFAOYSA-N
XLogP2.69
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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FR117016
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9-butyl-8-[(7-fluoro-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
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1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione
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2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazole
CID 380674
n-Methylthiabendazole
CID 612049
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
N-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)acetamide
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Thiabendazole hypophosphite
CID 62833

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole (CID 75471631) is 5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole is Cc1ncsc1CCN1CCN(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole?
The InChIKey is LWZWSYNTWQHULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5S/c1-14-17(24-13-19-14)6-7-22-8-10-23(11-9-22)12-18-20-15-4-2-3-5-16(15)21-18/h2-5,13H,6-12H2,1H3,(H,20,21).
What are the key properties of 5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole?
5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole has a molecular weight of 341.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 75471631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).