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

C12H20N2S2 — CID 115088156

IUPACN-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
SMILESCNCCc1csc(CC2CCSCC2)n1
InChIInChI=1S/C12H20N2S2/c1-13-5-2-11-9-16-12(14-11)8-10-3-6-15-7-4-10/h9-10,13H,2-8H2,1H3
InChIKeyTZWVPUJPCSABPY-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.59
Rot. Bonds5

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

N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 115088156) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID115088156
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC NameN-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
SMILESCNCCc1csc(CC2CCSCC2)n1
InChIInChI=1S/C12H20N2S2/c1-13-5-2-11-9-16-12(14-11)8-10-3-6-15-7-4-10/h9-10,13H,2-8H2,1H3
InChIKeyTZWVPUJPCSABPY-UHFFFAOYSA-N
XLogP2.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088155
[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115088124
3-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
CID 115088202
N-methyl-3-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088029
N-methyl-3-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088028
3-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088024
1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115088136
N-methyl-3-[2-(thian-4-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115087886
1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
CID 115087946
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
CID 115882093
N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115087985
N-methyl-3-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 83136979

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine (CID 115088156) is N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine is CNCCc1csc(CC2CCSCC2)n1.
What is the InChIKey of N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is TZWVPUJPCSABPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-13-5-2-11-9-16-12(14-11)8-10-3-6-15-7-4-10/h9-10,13H,2-8H2,1H3.
What are the key properties of N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 256.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 115088156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).