N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine

C11H18N2S2 — CID 80627617

IUPACN-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCNC(C)c1csc(C2CCCCS2)n1
InChIInChI=1S/C11H18N2S2/c1-8(12-2)9-7-15-11(13-9)10-5-3-4-6-14-10/h7-8,10,12H,3-6H2,1-2H3
InChIKeyIYHJLPOUCGMJPN-UHFFFAOYSA-N
MW242.41 g/mol
LogP3.38
Rot. Bonds3

About N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine

N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 80627617) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID80627617
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC NameN-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCNC(C)c1csc(C2CCCCS2)n1
InChIInChI=1S/C11H18N2S2/c1-8(12-2)9-7-15-11(13-9)10-5-3-4-6-14-10/h7-8,10,12H,3-6H2,1-2H3
InChIKeyIYHJLPOUCGMJPN-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 79966453
N-methyl-1-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 64545521
N-methyl-1-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 64544881
1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
N-methyl-4-[1-(methylamino)ethyl]-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine
CID 64543157
N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115090699
2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid
CID 116891647
N-methyl-6-propan-2-yl-2-(thian-2-yl)pyrimidin-4-amine
CID 80636848
4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 64543676
1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 103346522
N-[[4-ethyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842194
N-[[4-(2-methylpropyl)-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369110

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine (CID 80627617) is N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine is CNC(C)c1csc(C2CCCCS2)n1.
What is the InChIKey of N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is IYHJLPOUCGMJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-8(12-2)9-7-15-11(13-9)10-5-3-4-6-14-10/h7-8,10,12H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine?
N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 242.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 80627617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).