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

C13H18N2S2 — CID 114033835

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1C)c1sc(C)nc1C
InChIInChI=1S/C13H18N2S2/c1-5-14-12(11-6-7-16-9(11)3)13-8(2)15-10(4)17-13/h6-7,12,14H,5H2,1-4H3
InChIKeyQXCSRMSPHLCNPV-UHFFFAOYSA-N
MW266.44 g/mol
LogP3.83
Rot. Bonds4

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 114033835) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
PubChem CID114033835
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1C)c1sc(C)nc1C
InChIInChI=1S/C13H18N2S2/c1-5-14-12(11-6-7-16-9(11)3)13-8(2)15-10(4)17-13/h6-7,12,14H,5H2,1-4H3
InChIKeyQXCSRMSPHLCNPV-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 102842118
N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923988
N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833612
N-[(2-methylthiophen-3-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 102841738
N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102840880
N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 106756018
N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 102831849
N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842041
N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 112744238
N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833538
N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842157
N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102840771

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine (CID 114033835) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1ccsc1C)c1sc(C)nc1C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is QXCSRMSPHLCNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-5-14-12(11-6-7-16-9(11)3)13-8(2)15-10(4)17-13/h6-7,12,14H,5H2,1-4H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 266.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 114033835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).