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

C14H15N5S — CID 9338313

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
SMILESCc1ccsc1CN(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C14H15N5S/c1-11-8-9-20-13(11)10-18(2)14-15-16-17-19(14)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyIECQFWJROJQHEC-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.67
Rot. Bonds4

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

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine (PubChem CID 9338313) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
PubChem CID9338313
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
SMILESCc1ccsc1CN(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C14H15N5S/c1-11-8-9-20-13(11)10-18(2)14-15-16-17-19(14)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyIECQFWJROJQHEC-UHFFFAOYSA-N
XLogP2.67
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine (CID 9338313) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine is Cc1ccsc1CN(C)c1nnnn1-c1ccccc1.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine?
The InChIKey is IECQFWJROJQHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-11-8-9-20-13(11)10-18(2)14-15-16-17-19(14)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine has a molecular weight of 285.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 9338313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).