N-methyl-1-thiophen-2-yl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine

C16H16F3N5S — CID 47059677

IUPACN-methyl-1-thiophen-2-yl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
SMILESCC(c1cccs1)N(C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N5S/c1-11(14-4-3-9-25-14)23(2)10-15-20-21-22-24(15)13-7-5-12(6-8-13)16(17,18)19/h3-9,11H,10H2,1-2H3
InChIKeySSPGASYUOAKNHM-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.94
Rot. Bonds5

About N-methyl-1-thiophen-2-yl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine

N-methyl-1-thiophen-2-yl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine (PubChem CID 47059677) has the molecular formula C16H16F3N5S and a molecular weight of 367.40 g/mol. Its IUPAC name is N-methyl-1-thiophen-2-yl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-thiophen-2-yl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
PubChem CID47059677
Molecular FormulaC16H16F3N5S
Molecular Weight367.40 g/mol
Exact Mass367.11
IUPAC NameN-methyl-1-thiophen-2-yl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
SMILESCC(c1cccs1)N(C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N5S/c1-11(14-4-3-9-25-14)23(2)10-15-20-21-22-24(15)13-7-5-12(6-8-13)16(17,18)19/h3-9,11H,10H2,1-2H3
InChIKeySSPGASYUOAKNHM-UHFFFAOYSA-N
XLogP3.94
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thiophen-2-yl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-methyl-1-thiophen-2-yl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine (CID 47059677) is N-methyl-1-thiophen-2-yl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-methyl-1-thiophen-2-yl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-methyl-1-thiophen-2-yl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine is CC(c1cccs1)N(C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-thiophen-2-yl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine?
The InChIKey is SSPGASYUOAKNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5S/c1-11(14-4-3-9-25-14)23(2)10-15-20-21-22-24(15)13-7-5-12(6-8-13)16(17,18)19/h3-9,11H,10H2,1-2H3.
What are the key properties of N-methyl-1-thiophen-2-yl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine?
N-methyl-1-thiophen-2-yl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine has a molecular weight of 367.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiophen-2-yl-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 47059677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).