N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine

C14H14BrN5OS — CID 1017081

IUPACN-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine
SMILESCn1nnc(NCc2cc(Br)ccc2OCc2cccs2)n1
InChIInChI=1S/C14H14BrN5OS/c1-20-18-14(17-19-20)16-8-10-7-11(15)4-5-13(10)21-9-12-3-2-6-22-12/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyIZWVDHGCGZJNQW-UHFFFAOYSA-N
MW380.27 g/mol
LogP3.23
Rot. Bonds6

About N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine

N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine (PubChem CID 1017081) has the molecular formula C14H14BrN5OS and a molecular weight of 380.27 g/mol. Its IUPAC name is N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine
PubChem CID1017081
Molecular FormulaC14H14BrN5OS
Molecular Weight380.27 g/mol
Exact Mass379.01
IUPAC NameN-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine
SMILESCn1nnc(NCc2cc(Br)ccc2OCc2cccs2)n1
InChIInChI=1S/C14H14BrN5OS/c1-20-18-14(17-19-20)16-8-10-7-11(15)4-5-13(10)21-9-12-3-2-6-22-12/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyIZWVDHGCGZJNQW-UHFFFAOYSA-N
XLogP3.23
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine?
The IUPAC name of N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine (CID 1017081) is N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine.
What is the SMILES notation for N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine?
The canonical SMILES for N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine is Cn1nnc(NCc2cc(Br)ccc2OCc2cccs2)n1.
What is the InChIKey of N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine?
The InChIKey is IZWVDHGCGZJNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5OS/c1-20-18-14(17-19-20)16-8-10-7-11(15)4-5-13(10)21-9-12-3-2-6-22-12/h2-7H,8-9H2,1H3,(H,16,18).
What are the key properties of N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine?
N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine has a molecular weight of 380.27 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methyltetrazol-5-amine is sourced from PubChem (CID 1017081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).