N-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine

C12H16N2S2 — CID 115879423

IUPACN-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine
SMILESCC(CNC(C)c1cscn1)c1ccsc1
InChIInChI=1S/C12H16N2S2/c1-9(11-3-4-15-6-11)5-13-10(2)12-7-16-8-14-12/h3-4,6-10,13H,5H2,1-2H3
InChIKeySTZVDQPKCXHXDJ-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.66
Rot. Bonds5

About N-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine

N-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine (PubChem CID 115879423) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine
PubChem CID115879423
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine
SMILESCC(CNC(C)c1cscn1)c1ccsc1
InChIInChI=1S/C12H16N2S2/c1-9(11-3-4-15-6-11)5-13-10(2)12-7-16-8-14-12/h3-4,6-10,13H,5H2,1-2H3
InChIKeySTZVDQPKCXHXDJ-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine
CID 84588852
N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879113
2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115879085
N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide
CID 97323196
1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115879082
N-[(3-bromothiophen-2-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115889140
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115878963
N-[(4-bromophenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879170
N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879116
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250
2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 115895627

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine (CID 115879423) is N-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine is CC(CNC(C)c1cscn1)c1ccsc1.
What is the InChIKey of N-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine?
The InChIKey is STZVDQPKCXHXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-9(11-3-4-15-6-11)5-13-10(2)12-7-16-8-14-12/h3-4,6-10,13H,5H2,1-2H3.
What are the key properties of N-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine?
N-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 115879423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).