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

C12H16N2S2 — CID 115731927

IUPACN-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCCc1cscn1
InChIInChI=1S/C12H16N2S2/c1-10(6-11-3-5-15-7-11)13-4-2-12-8-16-9-14-12/h3,5,7-10,13H,2,4,6H2,1H3
InChIKeyXWEXGZTVRJITFM-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.97
Rot. Bonds6

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

N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 115731927) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID115731927
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCCc1cscn1
InChIInChI=1S/C12H16N2S2/c1-10(6-11-3-5-15-7-11)13-4-2-12-8-16-9-14-12/h3,5,7-10,13H,2,4,6H2,1H3
InChIKeyXWEXGZTVRJITFM-UHFFFAOYSA-N
XLogP2.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
1-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 63830235
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63831315
N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115895883
6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
CID 115906776
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
CID 114472154
N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine
CID 115715971
1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 84589401
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831687
N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide
CID 115731929
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine
CID 75427876
N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54956098

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine (CID 115731927) is N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NCCc1cscn1.
What is the InChIKey of N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is XWEXGZTVRJITFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-10(6-11-3-5-15-7-11)13-4-2-12-8-16-9-14-12/h3,5,7-10,13H,2,4,6H2,1H3.
What are the key properties of N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 115731927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).