4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole

C17H20N4S — CID 84566814

IUPAC4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESCn1cnc2cc(-c3csc(CN4CCCCC4)n3)ccc21
InChIInChI=1S/C17H20N4S/c1-20-12-18-14-9-13(5-6-16(14)20)15-11-22-17(19-15)10-21-7-3-2-4-8-21/h5-6,9,11-12H,2-4,7-8,10H2,1H3
InChIKeyVDDODIBLYNFISL-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.68
Rot. Bonds3

About 4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole

4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole (PubChem CID 84566814) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
PubChem CID84566814
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESCn1cnc2cc(-c3csc(CN4CCCCC4)n3)ccc21
InChIInChI=1S/C17H20N4S/c1-20-12-18-14-9-13(5-6-16(14)20)15-11-22-17(19-15)10-21-7-3-2-4-8-21/h5-6,9,11-12H,2-4,7-8,10H2,1H3
InChIKeyVDDODIBLYNFISL-UHFFFAOYSA-N
XLogP3.68
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole
CID 116970087
4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566788
4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570130
4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 70524977
4-(1,3-benzodioxol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566810
4-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570157
1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone
CID 116867483
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-4-phenyl-1,3-thiazole;methane
CID 158416700
4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide
CID 158900743
2,6-ditert-butyl-4-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]phenol;hydrochloride
CID 87312495
4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 99943600
4-(4-methoxy-2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566831

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole (CID 84566814) is 4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole is Cn1cnc2cc(-c3csc(CN4CCCCC4)n3)ccc21.
What is the InChIKey of 4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole?
The InChIKey is VDDODIBLYNFISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-20-12-18-14-9-13(5-6-16(14)20)15-11-22-17(19-15)10-21-7-3-2-4-8-21/h5-6,9,11-12H,2-4,7-8,10H2,1H3.
What are the key properties of 4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole?
4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole has a molecular weight of 312.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 84566814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).