N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine

C10H16N2S2 — CID 107269986

IUPACN-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCSC1(CNC(C)c2nccs2)CC1
InChIInChI=1S/C10H16N2S2/c1-8(9-11-5-6-14-9)12-7-10(13-2)3-4-10/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyYMEFBSKDTPCIHL-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.69
Rot. Bonds5

About N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine

N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 107269986) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID107269986
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC NameN-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCSC1(CNC(C)c2nccs2)CC1
InChIInChI=1S/C10H16N2S2/c1-8(9-11-5-6-14-9)12-7-10(13-2)3-4-10/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyYMEFBSKDTPCIHL-UHFFFAOYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 107269986) is N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is CSC1(CNC(C)c2nccs2)CC1.
What is the InChIKey of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is YMEFBSKDTPCIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-8(9-11-5-6-14-9)12-7-10(13-2)3-4-10/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 228.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 107269986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).