N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine

C12H10BrN5S — CID 78983843

IUPACN-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
SMILESBrc1ccsc1CNc1nnnn1-c1ccccc1
InChIInChI=1S/C12H10BrN5S/c13-10-6-7-19-11(10)8-14-12-15-16-17-18(12)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15,17)
InChIKeyWDSLZXROHXNPJQ-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.10
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine

N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine (PubChem CID 78983843) has the molecular formula C12H10BrN5S and a molecular weight of 336.22 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
PubChem CID78983843
Molecular FormulaC12H10BrN5S
Molecular Weight336.22 g/mol
Exact Mass334.98
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
SMILESBrc1ccsc1CNc1nnnn1-c1ccccc1
InChIInChI=1S/C12H10BrN5S/c13-10-6-7-19-11(10)8-14-12-15-16-17-18(12)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15,17)
InChIKeyWDSLZXROHXNPJQ-UHFFFAOYSA-N
XLogP3.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 47281703
N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine
CID 78963065
N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,4-triazol-3-amine
CID 86801647
N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine
CID 62500427
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
1-phenyl-2-(1-phenyltetrazol-5-yl)hydrazine
CID 134909651
N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine
CID 60967739
N-[(1-methylcyclobutyl)methyl]-1-phenyltetrazol-5-amine
CID 103736960
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine
CID 133379973
methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
N-[(3-bromothiophen-2-yl)methyl]-2-phenylaniline
CID 63488585
N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine
CID 66007158

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine (CID 78983843) is N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine is Brc1ccsc1CNc1nnnn1-c1ccccc1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine?
The InChIKey is WDSLZXROHXNPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5S/c13-10-6-7-19-11(10)8-14-12-15-16-17-18(12)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15,17).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine?
N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine has a molecular weight of 336.22 g/mol, XLogP of 3.10, 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]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 78983843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).