1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine

C17H15N7S — CID 133379973

IUPAC1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2NCc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C17H15N7S/c1-12-7-9-14(10-8-12)24-17(21-22-23-24)18-11-15-19-20-16(25-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,21,23)
InChIKeyUOEWXBLTXLDHCU-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.10
Rot. Bonds5

About 1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine

1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine (PubChem CID 133379973) has the molecular formula C17H15N7S and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine
PubChem CID133379973
Molecular FormulaC17H15N7S
Molecular Weight349.42 g/mol
Exact Mass349.11
IUPAC Name1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2NCc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C17H15N7S/c1-12-7-9-14(10-8-12)24-17(21-22-23-24)18-11-15-19-20-16(25-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,21,23)
InChIKeyUOEWXBLTXLDHCU-UHFFFAOYSA-N
XLogP3.10
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine
CID 133449188
N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 47281703
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9458997
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-methylphenyl)tetrazol-5-amine
CID 133296661
N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 25473399
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 9339433
N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 78983843
4-methyl-3-nitro-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-2-amine
CID 133379919
N-[(1-methylcyclobutyl)methyl]-1-phenyltetrazol-5-amine
CID 103736960
N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine
CID 60967739
N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine
CID 62500427
1-(2,4-dimethylphenyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 71851800

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine?
The IUPAC name of 1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine (CID 133379973) is 1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine is Cc1ccc(-n2nnnc2NCc2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine?
The InChIKey is UOEWXBLTXLDHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7S/c1-12-7-9-14(10-8-12)24-17(21-22-23-24)18-11-15-19-20-16(25-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,21,23).
What are the key properties of 1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine?
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine has a molecular weight of 349.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine is sourced from PubChem (CID 133379973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).