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

C13H17N3S2 — CID 118792144

IUPACN-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine
SMILESCc1nnc(CN(C)CCSc2ccccc2)s1
InChIInChI=1S/C13H17N3S2/c1-11-14-15-13(18-11)10-16(2)8-9-17-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3
InChIKeyAGVZJLVEZHUNAK-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.07
Rot. Bonds6

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

N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine (PubChem CID 118792144) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine
PubChem CID118792144
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC NameN-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine
SMILESCc1nnc(CN(C)CCSc2ccccc2)s1
InChIInChI=1S/C13H17N3S2/c1-11-14-15-13(18-11)10-16(2)8-9-17-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3
InChIKeyAGVZJLVEZHUNAK-UHFFFAOYSA-N
XLogP3.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-(4-phenylphenyl)methanamine
CID 75399541
N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine
CID 78962431
N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide
CID 78962685
2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine
CID 78993096
(3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97256570
1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 125176993
3-[[methyl(2-phenylsulfanylethyl)amino]methyl]benzenecarbothioamide
CID 79227420
N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine
CID 79319585
N-[(1-cyclopropylimidazol-2-yl)methyl]-N-methyl-2-phenylsulfanylethanamine
CID 91841929
N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine
CID 79221911
N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine
CID 15762909
methyl 4-[methyl(2-phenylsulfanylethyl)amino]butanoate
CID 62013452

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine?
The IUPAC name of N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine (CID 118792144) is N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine is Cc1nnc(CN(C)CCSc2ccccc2)s1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine?
The InChIKey is AGVZJLVEZHUNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-11-14-15-13(18-11)10-16(2)8-9-17-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine?
N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine has a molecular weight of 279.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine is sourced from PubChem (CID 118792144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).