1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C13H18N2S2 — CID 55149649

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2sc(C)nc2C)s1
InChIInChI=1S/C13H18N2S2/c1-8-5-6-12(16-8)7-14-9(2)13-10(3)15-11(4)17-13/h5-6,9,14H,7H2,1-4H3
InChIKeyXIAMBUCNOKCGEK-UHFFFAOYSA-N
MW266.44 g/mol
LogP3.98
Rot. Bonds4

About 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 55149649) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID55149649
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2sc(C)nc2C)s1
InChIInChI=1S/C13H18N2S2/c1-8-5-6-12(16-8)7-14-9(2)13-10(3)15-11(4)17-13/h5-6,9,14H,7H2,1-4H3
InChIKeyXIAMBUCNOKCGEK-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 61060969
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 61060970
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61060387
N-[(5-bromofuran-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61192981
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 62133520
N-[(2-bromophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61059932
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 61061113
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 113428992
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78921673
N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 80701216
N-[(2,5-dichlorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 65315816
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine
CID 61069028

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 55149649) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is Cc1ccc(CNC(C)c2sc(C)nc2C)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is XIAMBUCNOKCGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-8-5-6-12(16-8)7-14-9(2)13-10(3)15-11(4)17-13/h5-6,9,14H,7H2,1-4H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 266.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 55149649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).