N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine

C21H21N5S — CID 2867840

IUPACN-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine
SMILESCc1ccccc1-n1nnnc1C(c1ccccc1)N(C)Cc1cccs1
InChIInChI=1S/C21H21N5S/c1-16-9-6-7-13-19(16)26-21(22-23-24-26)20(17-10-4-3-5-11-17)25(2)15-18-12-8-14-27-18/h3-14,20H,15H2,1-2H3
InChIKeyWRNQHYUIKUNBCV-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.25
Rot. Bonds6

About N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine

N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 2867840) has the molecular formula C21H21N5S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine
PubChem CID2867840
Molecular FormulaC21H21N5S
Molecular Weight375.50 g/mol
Exact Mass375.15
IUPAC NameN-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine
SMILESCc1ccccc1-n1nnnc1C(c1ccccc1)N(C)Cc1cccs1
InChIInChI=1S/C21H21N5S/c1-16-9-6-7-13-19(16)26-21(22-23-24-26)20(17-10-4-3-5-11-17)25(2)15-18-12-8-14-27-18/h3-14,20H,15H2,1-2H3
InChIKeyWRNQHYUIKUNBCV-UHFFFAOYSA-N
XLogP4.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine (CID 2867840) is N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine is Cc1ccccc1-n1nnnc1C(c1ccccc1)N(C)Cc1cccs1.
What is the InChIKey of N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is WRNQHYUIKUNBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5S/c1-16-9-6-7-13-19(16)26-21(22-23-24-26)20(17-10-4-3-5-11-17)25(2)15-18-12-8-14-27-18/h3-14,20H,15H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine?
N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 375.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 2867840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).