N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine

C13H16N2S2 — CID 79824156

IUPACN-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(CSc1ccccc1)Cc1nccs1
InChIInChI=1S/C13H16N2S2/c1-14-11(9-13-15-7-8-16-13)10-17-12-5-3-2-4-6-12/h2-8,11,14H,9-10H2,1H3
InChIKeyRRMLNQIHOQDXMZ-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.07
Rot. Bonds6

About N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine

N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 79824156) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID79824156
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC NameN-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(CSc1ccccc1)Cc1nccs1
InChIInChI=1S/C13H16N2S2/c1-14-11(9-13-15-7-8-16-13)10-17-12-5-3-2-4-6-12/h2-8,11,14H,9-10H2,1H3
InChIKeyRRMLNQIHOQDXMZ-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-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

2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 20699494
N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 79824583
1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824027
N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine
CID 107049422
N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015264
1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142417
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 82806378
N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
CID 64626494
1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 66056486
1-(furan-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 79825248
(3R)-N,N-dimethyl-3-(methylamino)-4-phenylsulfanylbutanamide
CID 70921622
1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824685

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine (CID 79824156) is N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine is CNC(CSc1ccccc1)Cc1nccs1.
What is the InChIKey of N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is RRMLNQIHOQDXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-14-11(9-13-15-7-8-16-13)10-17-12-5-3-2-4-6-12/h2-8,11,14H,9-10H2,1H3.
What are the key properties of N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine?
N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 264.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 79824156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).