[2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone

C16H16N6OS — CID 46967760

IUPAC[2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC1Cn1nnc(-c2ccncc2)n1
InChIInChI=1S/C16H16N6OS/c23-16(14-4-2-10-24-14)21-9-1-3-13(21)11-22-19-15(18-20-22)12-5-7-17-8-6-12/h2,4-8,10,13H,1,3,9,11H2
InChIKeyVXVKHKUHPOKAPU-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.10
Rot. Bonds4

About [2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone

[2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 46967760) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is [2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID46967760
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name[2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC1Cn1nnc(-c2ccncc2)n1
InChIInChI=1S/C16H16N6OS/c23-16(14-4-2-10-24-14)21-9-1-3-13(21)11-22-19-15(18-20-22)12-5-7-17-8-6-12/h2,4-8,10,13H,1,3,9,11H2
InChIKeyVXVKHKUHPOKAPU-UHFFFAOYSA-N
XLogP2.10
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2S)-2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 92578282
3-[2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 110224951
2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134813305
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-1-[(2R)-2-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 92571623
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 17475815
1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone
CID 92577777
[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 29348207
3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 92574610
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 27126630
2-[(2S)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 95974386
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone
CID 66260722

Frequently Asked Questions

What is the IUPAC name of [2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 46967760) is [2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCCC1Cn1nnc(-c2ccncc2)n1.
What is the InChIKey of [2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is VXVKHKUHPOKAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-16(14-4-2-10-24-14)21-9-1-3-13(21)11-22-19-15(18-20-22)12-5-7-17-8-6-12/h2,4-8,10,13H,1,3,9,11H2.
What are the key properties of [2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
[2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 340.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 46967760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).