5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine

C12H11N5S — CID 124530595

IUPAC5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine
SMILESNc1ccc(Cn2nnc(-c3ccccc3)n2)s1
InChIInChI=1S/C12H11N5S/c13-11-7-6-10(18-11)8-17-15-12(14-16-17)9-4-2-1-3-5-9/h1-7H,8,13H2
InChIKeySMSBCEOPPXDJKI-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.03
Rot. Bonds3

About 5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine

5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine (PubChem CID 124530595) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine.

Molecular Properties

Compound Name5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine
PubChem CID124530595
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine
SMILESNc1ccc(Cn2nnc(-c3ccccc3)n2)s1
InChIInChI=1S/C12H11N5S/c13-11-7-6-10(18-11)8-17-15-12(14-16-17)9-4-2-1-3-5-9/h1-7H,8,13H2
InChIKeySMSBCEOPPXDJKI-UHFFFAOYSA-N
XLogP2.03
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
CID 62449218
3-bromo-5-[(5-phenyltetrazol-2-yl)methyl]aniline
CID 103350064
2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
3-chloro-2-[(5-phenyltetrazol-2-yl)methyl]aniline
CID 63747473
3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole
CID 8598063
2-methylsulfanyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-thiadiazole
CID 47772330
[3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
CID 62448659
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
N-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine
CID 62446607
2-[(5-phenyltetrazol-2-yl)methyl]furo[3,2-c]quinoline
CID 142717491
[4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine
CID 62471223
1-tert-butyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole
CID 171317663

Frequently Asked Questions

What is the IUPAC name of 5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine?
The IUPAC name of 5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine (CID 124530595) is 5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine.
What is the SMILES notation for 5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine?
The canonical SMILES for 5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine is Nc1ccc(Cn2nnc(-c3ccccc3)n2)s1.
What is the InChIKey of 5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine?
The InChIKey is SMSBCEOPPXDJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c13-11-7-6-10(18-11)8-17-15-12(14-16-17)9-4-2-1-3-5-9/h1-7H,8,13H2.
What are the key properties of 5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine?
5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine has a molecular weight of 257.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine is sourced from PubChem (CID 124530595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).