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

C15H21N3S3 — CID 115383928

IUPAC2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine
SMILESCSc1nnc(Sc2ccc(CNCC(C)C)cc2C)s1
InChIInChI=1S/C15H21N3S3/c1-10(2)8-16-9-12-5-6-13(11(3)7-12)20-15-18-17-14(19-4)21-15/h5-7,10,16H,8-9H2,1-4H3
InChIKeyFCVUBHGFUROBBD-UHFFFAOYSA-N
MW339.56 g/mol
LogP4.47
Rot. Bonds7

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

2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine (PubChem CID 115383928) has the molecular formula C15H21N3S3 and a molecular weight of 339.56 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine
PubChem CID115383928
Molecular FormulaC15H21N3S3
Molecular Weight339.56 g/mol
Exact Mass339.09
IUPAC Name2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine
SMILESCSc1nnc(Sc2ccc(CNCC(C)C)cc2C)s1
InChIInChI=1S/C15H21N3S3/c1-10(2)8-16-9-12-5-6-13(11(3)7-12)20-15-18-17-14(19-4)21-15/h5-7,10,16H,8-9H2,1-4H3
InChIKeyFCVUBHGFUROBBD-UHFFFAOYSA-N
XLogP4.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63808217
2-methyl-N-[[3-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]propan-1-amine
CID 63807138
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 66472971
2-methyl-N-[(5-methyl-6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651160
(1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
CID 113298870
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115382743
N-[[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 115383921
5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115382763
2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639314
N-ethyl-1-[3-fluoro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 115383128
N-[[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 115383866

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine (CID 115383928) is 2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine is CSc1nnc(Sc2ccc(CNCC(C)C)cc2C)s1.
What is the InChIKey of 2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine?
The InChIKey is FCVUBHGFUROBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S3/c1-10(2)8-16-9-12-5-6-13(11(3)7-12)20-15-18-17-14(19-4)21-15/h5-7,10,16H,8-9H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine?
2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine has a molecular weight of 339.56 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 115383928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).