N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine

C13H19N3S2 — CID 102842118

IUPACN-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1C(NCC)c1ccsc1C
InChIInChI=1S/C13H19N3S2/c1-4-6-11-13(18-16-15-11)12(14-5-2)10-7-8-17-9(10)3/h7-8,12,14H,4-6H2,1-3H3
InChIKeyHAFMSNMXIHMFGJ-UHFFFAOYSA-N
MW281.45 g/mol
LogP3.56
Rot. Bonds6

About N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine

N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 102842118) has the molecular formula C13H19N3S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
PubChem CID102842118
Molecular FormulaC13H19N3S2
Molecular Weight281.45 g/mol
Exact Mass281.10
IUPAC NameN-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1C(NCC)c1ccsc1C
InChIInChI=1S/C13H19N3S2/c1-4-6-11-13(18-16-15-11)12(14-5-2)10-7-8-17-9(10)3/h7-8,12,14H,4-6H2,1-3H3
InChIKeyHAFMSNMXIHMFGJ-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 114033835
N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105143839
N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105181884
N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105121449
N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923988
(4-ethylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842425
N-methyl-1-(4-methylthiadiazol-5-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102841311
N-[(2-methylthiophen-3-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 102841738
[(4-methylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843321
N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 106756018
N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833612
N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 102831849

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine (CID 102842118) is N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine is CCCc1nnsc1C(NCC)c1ccsc1C.
What is the InChIKey of N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is HAFMSNMXIHMFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S2/c1-4-6-11-13(18-16-15-11)12(14-5-2)10-7-8-17-9(10)3/h7-8,12,14H,4-6H2,1-3H3.
What are the key properties of N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 281.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 102842118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).