N-[(2S)-butan-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C11H15N5OS — CID 859245

IUPACN-[(2S)-butan-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCC[C@H](C)NC(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C11H15N5OS/c1-3-8(2)12-10(17)7-16-14-11(13-15-16)9-5-4-6-18-9/h4-6,8H,3,7H2,1-2H3,(H,12,17)/t8-/m0/s1
InChIKeyCRPNYGJUQLHSPJ-QMMMGPOBSA-N
MW265.34 g/mol
LogP1.32
Rot. Bonds5

About N-[(2S)-butan-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-[(2S)-butan-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 859245) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID859245
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN-[(2S)-butan-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCC[C@H](C)NC(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C11H15N5OS/c1-3-8(2)12-10(17)7-16-14-11(13-15-16)9-5-4-6-18-9/h4-6,8H,3,7H2,1-2H3,(H,12,17)/t8-/m0/s1
InChIKeyCRPNYGJUQLHSPJ-QMMMGPOBSA-N
XLogP1.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 859245) is N-[(2S)-butan-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is CC[C@H](C)NC(=O)Cn1nnc(-c2cccs2)n1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is CRPNYGJUQLHSPJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-8(2)12-10(17)7-16-14-11(13-15-16)9-5-4-6-18-9/h4-6,8H,3,7H2,1-2H3,(H,12,17)/t8-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-[(2S)-butan-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 265.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 859245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).