N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine

C14H19N3S2 — CID 64650448

IUPACN-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)Sc1nnc(C)s1
InChIInChI=1S/C14H19N3S2/c1-9-5-7-12(8-6-9)13(15-4)10(2)18-14-17-16-11(3)19-14/h5-8,10,13,15H,1-4H3
InChIKeyFEFQSFWKRMAYHN-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.60
Rot. Bonds5

About N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine

N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine (PubChem CID 64650448) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
PubChem CID64650448
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC NameN-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)Sc1nnc(C)s1
InChIInChI=1S/C14H19N3S2/c1-9-5-7-12(8-6-9)13(15-4)10(2)18-14-17-16-11(3)19-14/h5-8,10,13,15H,1-4H3
InChIKeyFEFQSFWKRMAYHN-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine 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-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
CID 64647840
N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64648111
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-N-propylpropan-1-amine
CID 64650635
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 106927981
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64650586
N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 64621188
2-(1H-imidazol-2-ylsulfanyl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 107783907
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 102926409
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64629043
1-(4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64621620
2-(2,5-dichlorophenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64621434
2-(3,4-difluorophenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64612638

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine (CID 64650448) is N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine is CNC(c1ccc(C)cc1)C(C)Sc1nnc(C)s1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The InChIKey is FEFQSFWKRMAYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-9-5-7-12(8-6-9)13(15-4)10(2)18-14-17-16-11(3)19-14/h5-8,10,13,15H,1-4H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine has a molecular weight of 293.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 64650448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).