2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine

C9H16N2S2 — CID 115895637

IUPAC2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCSC(C)CNC(C)c1cncs1
InChIInChI=1S/C9H16N2S2/c1-7(12-3)4-11-8(2)9-5-10-6-13-9/h5-8,11H,4H2,1-3H3
InChIKeyFIQGSMXJTKNTNI-UHFFFAOYSA-N
MW216.38 g/mol
LogP2.55
Rot. Bonds5

About 2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine

2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 115895637) has the molecular formula C9H16N2S2 and a molecular weight of 216.38 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID115895637
Molecular FormulaC9H16N2S2
Molecular Weight216.38 g/mol
Exact Mass216.08
IUPAC Name2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCSC(C)CNC(C)c1cncs1
InChIInChI=1S/C9H16N2S2/c1-7(12-3)4-11-8(2)9-5-10-6-13-9/h5-8,11H,4H2,1-3H3
InChIKeyFIQGSMXJTKNTNI-UHFFFAOYSA-N
XLogP2.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine
CID 115706170
1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
CID 115718069
1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115901615
2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115895530
N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 103779588
3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115706255
3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol
CID 115714735
N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide
CID 115713369
N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide
CID 115712697
5,5,5-trifluoro-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-1-amine
CID 115895753
1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115706728
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115889186

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 115895637) is 2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine is CSC(C)CNC(C)c1cncs1.
What is the InChIKey of 2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is FIQGSMXJTKNTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S2/c1-7(12-3)4-11-8(2)9-5-10-6-13-9/h5-8,11H,4H2,1-3H3.
What are the key properties of 2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 216.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115895637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).