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

C12H16N2S2 — CID 64990673

IUPACN-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NC(C)c1nccs1
InChIInChI=1S/C12H16N2S2/c1-9(7-11-3-5-15-8-11)14-10(2)12-13-4-6-16-12/h3-6,8-10,14H,7H2,1-2H3
InChIKeyUCQVUAZAXXFIRH-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.49
Rot. Bonds5

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

N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 64990673) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID64990673
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NC(C)c1nccs1
InChIInChI=1S/C12H16N2S2/c1-9(7-11-3-5-15-8-11)14-10(2)12-13-4-6-16-12/h3-6,8-10,14H,7H2,1-2H3
InChIKeyUCQVUAZAXXFIRH-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine
CID 54952734
N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 102612502
1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol
CID 67759146
(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 113348121
2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine
CID 104588660
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
(2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 92582018
(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol
CID 97051663
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine (CID 64990673) is N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NC(C)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is UCQVUAZAXXFIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-9(7-11-3-5-15-8-11)14-10(2)12-13-4-6-16-12/h3-6,8-10,14H,7H2,1-2H3.
What are the key properties of N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 3.49, 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-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 64990673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).