4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine

C13H19N3S2 — CID 55117223

IUPAC4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)Cc2ccsc2)sc1CNC
InChIInChI=1S/C13H19N3S2/c1-4-11-12(7-14-2)18-13(15-11)16(3)8-10-5-6-17-9-10/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyCLSBKUGRFULYNB-UHFFFAOYSA-N
MW281.45 g/mol
LogP3.12
Rot. Bonds6

About 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine

4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 55117223) has the molecular formula C13H19N3S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID55117223
Molecular FormulaC13H19N3S2
Molecular Weight281.45 g/mol
Exact Mass281.10
IUPAC Name4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)Cc2ccsc2)sc1CNC
InChIInChI=1S/C13H19N3S2/c1-4-11-12(7-14-2)18-13(15-11)16(3)8-10-5-6-17-9-10/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyCLSBKUGRFULYNB-UHFFFAOYSA-N
XLogP3.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62779800
5-[(cyclopropylamino)methyl]-N-methyl-4-propyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62767283
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 65486953
N-methyl-5-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62780134
N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 107510098
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 62767879
N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55125918
[2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 62780142
N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62766787
N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62764849
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769365
5-[1-(ethylamino)ethyl]-N,4-dimethyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62751781

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (CID 55117223) is 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is CCc1nc(N(C)Cc2ccsc2)sc1CNC.
What is the InChIKey of 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is CLSBKUGRFULYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S2/c1-4-11-12(7-14-2)18-13(15-11)16(3)8-10-5-6-17-9-10/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 281.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55117223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).