N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine

C18H19N3S — CID 75399541

IUPACN-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine
SMILESCc1nnc(CN(C)Cc2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C18H19N3S/c1-14-19-20-18(22-14)13-21(2)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyUFPCVNHEVPPAFA-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.15
Rot. Bonds5

About N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine

N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine (PubChem CID 75399541) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine
PubChem CID75399541
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC NameN-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine
SMILESCc1nnc(CN(C)Cc2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C18H19N3S/c1-14-19-20-18(22-14)13-21(2)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyUFPCVNHEVPPAFA-UHFFFAOYSA-N
XLogP4.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine?
The IUPAC name of N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine (CID 75399541) is N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine is Cc1nnc(CN(C)Cc2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine?
The InChIKey is UFPCVNHEVPPAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-14-19-20-18(22-14)13-21(2)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine?
N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine has a molecular weight of 309.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine is sourced from PubChem (CID 75399541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).