1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C18H18N6OS — CID 120864714

IUPAC1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1ncsc1-c1nc2ccccc2n1Cc1nc(C2(N)CCC2)no1
InChIInChI=1S/C18H18N6OS/c1-11-15(26-10-20-11)16-21-12-5-2-3-6-13(12)24(16)9-14-22-17(23-25-14)18(19)7-4-8-18/h2-3,5-6,10H,4,7-9,19H2,1H3
InChIKeyRCJOQNHKUNNRHZ-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.24
Rot. Bonds4

About 1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120864714) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120864714
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCc1ncsc1-c1nc2ccccc2n1Cc1nc(C2(N)CCC2)no1
InChIInChI=1S/C18H18N6OS/c1-11-15(26-10-20-11)16-21-12-5-2-3-6-13(12)24(16)9-14-22-17(23-25-14)18(19)7-4-8-18/h2-3,5-6,10H,4,7-9,19H2,1H3
InChIKeyRCJOQNHKUNNRHZ-UHFFFAOYSA-N
XLogP3.24
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 75423002
1-[5-[[2-(methylsulfanylmethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862851
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354307
1-[5-[2-(benzimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852984
2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione;hydrochloride
CID 120850991
1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride
CID 119472696
1-[5-(4-tert-butyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863141
1-[5-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863686
1-[5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862029
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268
1-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859393
1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862526

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120864714) is 1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is Cc1ncsc1-c1nc2ccccc2n1Cc1nc(C2(N)CCC2)no1.
What is the InChIKey of 1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is RCJOQNHKUNNRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c1-11-15(26-10-20-11)16-21-12-5-2-3-6-13(12)24(16)9-14-22-17(23-25-14)18(19)7-4-8-18/h2-3,5-6,10H,4,7-9,19H2,1H3.
What are the key properties of 1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 366.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120864714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).