1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide

C17H20N4O3S — CID 22054962

IUPAC1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide
SMILESCc1nc2cc(OCCCC(O)Cn3cnc(C(N)=O)c3)ccc2s1
InChIInChI=1S/C17H20N4O3S/c1-11-20-14-7-13(4-5-16(14)25-11)24-6-2-3-12(22)8-21-9-15(17(18)23)19-10-21/h4-5,7,9-10,12,22H,2-3,6,8H2,1H3,(H2,18,23)
InChIKeyUQHHYMOYUXSXPS-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.12
Rot. Bonds8

About 1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide

1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide (PubChem CID 22054962) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide
PubChem CID22054962
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide
SMILESCc1nc2cc(OCCCC(O)Cn3cnc(C(N)=O)c3)ccc2s1
InChIInChI=1S/C17H20N4O3S/c1-11-20-14-7-13(4-5-16(14)25-11)24-6-2-3-12(22)8-21-9-15(17(18)23)19-10-21/h4-5,7,9-10,12,22H,2-3,6,8H2,1H3,(H2,18,23)
InChIKeyUQHHYMOYUXSXPS-UHFFFAOYSA-N
XLogP2.12
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide
CID 22055006
ethyl 6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]hexanoate
CID 177166236
4-[[2-[4-[(2S)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]acetyl]amino]benzamide
CID 10184540
2-[4-[4-[4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]butoxy]phenoxy]acetic acid
CID 11489435
methyl 2-[4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]acetate
CID 58648534
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol
CID 22064269
2-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]-N-(4-hydroxyphenyl)acetamide
CID 10276097
(2R)-1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-[4-[2-(4-phenylphenoxy)ethyl]piperazin-1-yl]propan-2-ol
CID 11397977
1-[2-[tert-butyl(dimethyl)silyl]oxy-5-(3-thiophen-2-ylphenoxy)pentyl]imidazole-4-carboxamide
CID 22054997
1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
CID 141073166
2-(1,2-dioxin-3-yl)-2-[4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]acetamide
CID 87956215

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide?
The IUPAC name of 1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide (CID 22054962) is 1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide is Cc1nc2cc(OCCCC(O)Cn3cnc(C(N)=O)c3)ccc2s1.
What is the InChIKey of 1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide?
The InChIKey is UQHHYMOYUXSXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-11-20-14-7-13(4-5-16(14)25-11)24-6-2-3-12(22)8-21-9-15(17(18)23)19-10-21/h4-5,7,9-10,12,22H,2-3,6,8H2,1H3,(H2,18,23).
What are the key properties of 1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide?
1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide is sourced from PubChem (CID 22054962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).