[3-(1-methyltetrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

C13H17N5OS — CID 110196507

IUPAC[3-(1-methyltetrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCCC(c2nnnn2C)C1
InChIInChI=1S/C13H17N5OS/c1-9-5-7-20-11(9)13(19)18-6-3-4-10(8-18)12-14-15-16-17(12)2/h5,7,10H,3-4,6,8H2,1-2H3
InChIKeyDXEBRBRMCDUBLH-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.60
Rot. Bonds2

About [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

[3-(1-methyltetrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 110196507) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(1-methyltetrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID110196507
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name[3-(1-methyltetrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCCC(c2nnnn2C)C1
InChIInChI=1S/C13H17N5OS/c1-9-5-7-20-11(9)13(19)18-6-3-4-10(8-18)12-14-15-16-17(12)2/h5,7,10H,3-4,6,8H2,1-2H3
InChIKeyDXEBRBRMCDUBLH-UHFFFAOYSA-N
XLogP1.60
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 110196507) is [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCCC(c2nnnn2C)C1.
What is the InChIKey of [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is DXEBRBRMCDUBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-9-5-7-20-11(9)13(19)18-6-3-4-10(8-18)12-14-15-16-17(12)2/h5,7,10H,3-4,6,8H2,1-2H3.
What are the key properties of [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[3-(1-methyltetrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 291.38 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methyltetrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 110196507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).