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

C13H13N5S — CID 47281703

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
SMILESCc1ccc(CNc2nnnn2-c2ccccc2)s1
InChIInChI=1S/C13H13N5S/c1-10-7-8-12(19-10)9-14-13-15-16-17-18(13)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15,17)
InChIKeyIOJDGWNGYDEGDE-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.64
Rot. Bonds4

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

N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine (PubChem CID 47281703) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
PubChem CID47281703
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
SMILESCc1ccc(CNc2nnnn2-c2ccccc2)s1
InChIInChI=1S/C13H13N5S/c1-10-7-8-12(19-10)9-14-13-15-16-17-18(13)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15,17)
InChIKeyIOJDGWNGYDEGDE-UHFFFAOYSA-N
XLogP2.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine
CID 60967739
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine
CID 133379973
N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 78983843
(5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 7248515
N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9250575
1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole
CID 57225080
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-phenyltetrazol-5-amine
CID 133286987
N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine
CID 62500427
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol
CID 133448175
N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine
CID 78963065
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine
CID 133459238

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine (CID 47281703) is N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine is Cc1ccc(CNc2nnnn2-c2ccccc2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine?
The InChIKey is IOJDGWNGYDEGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-10-7-8-12(19-10)9-14-13-15-16-17-18(13)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15,17).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine?
N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine has a molecular weight of 271.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 47281703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).