2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C15H18N8OS — CID 72872657

IUPAC2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(Cn1cnnn1)N1CCC(c2nccn2Cc2cscn2)CC1
InChIInChI=1S/C15H18N8OS/c24-14(8-23-10-18-19-20-23)21-4-1-12(2-5-21)15-16-3-6-22(15)7-13-9-25-11-17-13/h3,6,9-12H,1-2,4-5,7-8H2
InChIKeySWBOHCZEGDVYLE-UHFFFAOYSA-N
MW358.43 g/mol
LogP0.78
Rot. Bonds5

About 2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 72872657) has the molecular formula C15H18N8OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID72872657
Molecular FormulaC15H18N8OS
Molecular Weight358.43 g/mol
Exact Mass358.13
IUPAC Name2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(Cn1cnnn1)N1CCC(c2nccn2Cc2cscn2)CC1
InChIInChI=1S/C15H18N8OS/c24-14(8-23-10-18-19-20-23)21-4-1-12(2-5-21)15-16-3-6-22(15)7-13-9-25-11-17-13/h3,6,9-12H,1-2,4-5,7-8H2
InChIKeySWBOHCZEGDVYLE-UHFFFAOYSA-N
XLogP0.78
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 70787429
(3-hydroxy-2-pyridinyl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 70745460
(2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97283623
(4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 97280064
(3-fluorophenyl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 70736916
4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
CID 70744946
3-pyrazol-1-yl-1-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97209859
3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 72842570
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97275438
N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide
CID 97188445
N,N-dimethyl-2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide
CID 97188446
(3R)-N-cyclohexyl-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187985

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 72872657) is 2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is O=C(Cn1cnnn1)N1CCC(c2nccn2Cc2cscn2)CC1.
What is the InChIKey of 2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is SWBOHCZEGDVYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8OS/c24-14(8-23-10-18-19-20-23)21-4-1-12(2-5-21)15-16-3-6-22(15)7-13-9-25-11-17-13/h3,6,9-12H,1-2,4-5,7-8H2.
What are the key properties of 2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 358.43 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 72872657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).