N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

C15H20N2S2 — CID 66087577

IUPACN-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCNC(CSc1cccc(C)c1)Cc1csc(C)n1
InChIInChI=1S/C15H20N2S2/c1-11-5-4-6-15(7-11)19-9-13(16-3)8-14-10-18-12(2)17-14/h4-7,10,13,16H,8-9H2,1-3H3
InChIKeyJRRXOBPDZJGMMI-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.68
Rot. Bonds6

About N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (PubChem CID 66087577) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
PubChem CID66087577
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC NameN-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCNC(CSc1cccc(C)c1)Cc1csc(C)n1
InChIInChI=1S/C15H20N2S2/c1-11-5-4-6-15(7-11)19-9-13(16-3)8-14-10-18-12(2)17-14/h4-7,10,13,16H,8-9H2,1-3H3
InChIKeyJRRXOBPDZJGMMI-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66071610
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66070436
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66053665
1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088736
N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049673
N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088351
1-(2,6-dichlorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088936
1-(3,4-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087965
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088346
1-(3-bromophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798989
N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine
CID 66088350

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (CID 66087577) is N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is CNC(CSc1cccc(C)c1)Cc1csc(C)n1.
What is the InChIKey of N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is JRRXOBPDZJGMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-11-5-4-6-15(7-11)19-9-13(16-3)8-14-10-18-12(2)17-14/h4-7,10,13,16H,8-9H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 66087577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).