N-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide

C8H8BrN5OS — CID 78986110

IUPACN-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCc1sccc1Br
InChIInChI=1S/C8H8BrN5OS/c9-6-1-2-16-7(6)3-10-8(15)4-14-5-11-12-13-14/h1-2,5H,3-4H2,(H,10,15)
InChIKeyZXONOKHZNQIFCJ-UHFFFAOYSA-N
MW302.16 g/mol
LogP0.81
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide

N-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 78986110) has the molecular formula C8H8BrN5OS and a molecular weight of 302.16 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID78986110
Molecular FormulaC8H8BrN5OS
Molecular Weight302.16 g/mol
Exact Mass300.96
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCc1sccc1Br
InChIInChI=1S/C8H8BrN5OS/c9-6-1-2-16-7(6)3-10-8(15)4-14-5-11-12-13-14/h1-2,5H,3-4H2,(H,10,15)
InChIKeyZXONOKHZNQIFCJ-UHFFFAOYSA-N
XLogP0.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide (CID 78986110) is N-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NCc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is ZXONOKHZNQIFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5OS/c9-6-1-2-16-7(6)3-10-8(15)4-14-5-11-12-13-14/h1-2,5H,3-4H2,(H,10,15).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide?
N-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 302.16 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 78986110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).