1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone

C15H17N9OS — CID 166335855

IUPAC1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESNc1nnnn1C1CCN(C(=O)Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C15H17N9OS/c16-15-20-21-22-24(15)11-2-6-23(7-3-11)12(25)8-10-9-26-14(19-10)13-17-4-1-5-18-13/h1,4-5,9,11H,2-3,6-8H2,(H2,16,20,22)
InChIKeyXEECLHZWTFNSSL-UHFFFAOYSA-N
MW371.43 g/mol
LogP0.57
Rot. Bonds4

About 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone

1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 166335855) has the molecular formula C15H17N9OS and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID166335855
Molecular FormulaC15H17N9OS
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC Name1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESNc1nnnn1C1CCN(C(=O)Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C15H17N9OS/c16-15-20-21-22-24(15)11-2-6-23(7-3-11)12(25)8-10-9-26-14(19-10)13-17-4-1-5-18-13/h1,4-5,9,11H,2-3,6-8H2,(H2,16,20,22)
InChIKeyXEECLHZWTFNSSL-UHFFFAOYSA-N
XLogP0.57
TPSA128.60 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone (CID 166335855) is 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone is Nc1nnnn1C1CCN(C(=O)Cc2csc(-c3ncccn3)n2)CC1.
What is the InChIKey of 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is XEECLHZWTFNSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N9OS/c16-15-20-21-22-24(15)11-2-6-23(7-3-11)12(25)8-10-9-26-14(19-10)13-17-4-1-5-18-13/h1,4-5,9,11H,2-3,6-8H2,(H2,16,20,22).
What are the key properties of 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?
1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 371.43 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-aminotetrazol-1-yl)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 166335855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).