N,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine

C17H17N3S — CID 59953851

IUPACN,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine
SMILESCN(C)Cc1ccc(-c2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C17H17N3S/c1-20(2)12-13-8-10-15(11-9-13)17-19-18-16(21-17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyRXEBOAHNIQUROM-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.93
Rot. Bonds4

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

N,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine (PubChem CID 59953851) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine
PubChem CID59953851
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC NameN,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine
SMILESCN(C)Cc1ccc(-c2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C17H17N3S/c1-20(2)12-13-8-10-15(11-9-13)17-19-18-16(21-17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyRXEBOAHNIQUROM-UHFFFAOYSA-N
XLogP3.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
CID 145125829
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine
CID 75399541
2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole
CID 157204141
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 25473399

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine (CID 59953851) is N,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine is CN(C)Cc1ccc(-c2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine?
The InChIKey is RXEBOAHNIQUROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-20(2)12-13-8-10-15(11-9-13)17-19-18-16(21-17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine?
N,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine has a molecular weight of 295.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 59953851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).