N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine

C12H16N2S2 — CID 115897434

IUPACN-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine
SMILESCC(NCCCc1cccs1)c1cncs1
InChIInChI=1S/C12H16N2S2/c1-10(12-8-13-9-16-12)14-6-2-4-11-5-3-7-15-11/h3,5,7-10,14H,2,4,6H2,1H3
InChIKeyJSZMUXSCVXMZSW-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.49
Rot. Bonds6

About N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine

N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine (PubChem CID 115897434) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine
PubChem CID115897434
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine
SMILESCC(NCCCc1cccs1)c1cncs1
InChIInChI=1S/C12H16N2S2/c1-10(12-8-13-9-16-12)14-6-2-4-11-5-3-7-15-11/h3,5,7-10,14H,2,4,6H2,1H3
InChIKeyJSZMUXSCVXMZSW-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115706728
3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine
CID 115897426
3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115707940
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
N-[2-(3-methylphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115715269
3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115706255
N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 103775879
1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 43195171
N-(3-thiophen-2-ylpropyl)hexan-2-amine
CID 115897415
5,5,5-trifluoro-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-1-amine
CID 115895753
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115889186

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine (CID 115897434) is N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine is CC(NCCCc1cccs1)c1cncs1.
What is the InChIKey of N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine?
The InChIKey is JSZMUXSCVXMZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-10(12-8-13-9-16-12)14-6-2-4-11-5-3-7-15-11/h3,5,7-10,14H,2,4,6H2,1H3.
What are the key properties of N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine?
N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 3.49, 6 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-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115897434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).