1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine

C10H12N2S2 — CID 115706728

IUPAC1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(NCc1cccs1)c1cncs1
InChIInChI=1S/C10H12N2S2/c1-8(10-6-11-7-14-10)12-5-9-3-2-4-13-9/h2-4,6-8,12H,5H2,1H3
InChIKeyDWVQEEKSLDCFLQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.06
Rot. Bonds4

About 1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine

1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 115706728) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID115706728
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(NCc1cccs1)c1cncs1
InChIInChI=1S/C10H12N2S2/c1-8(10-6-11-7-14-10)12-5-9-3-2-4-13-9/h2-4,6-8,12H,5H2,1H3
InChIKeyDWVQEEKSLDCFLQ-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine
CID 115897434
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 103779588
N-[(5-chloro-2-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115906661
N-[(3-ethylthiophen-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115727630
1-(5-fluoro-3-pyridinyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115706736
N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 114955153
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 146137266
1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115621932
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115708122

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine (CID 115706728) is 1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine is CC(NCc1cccs1)c1cncs1.
What is the InChIKey of 1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is DWVQEEKSLDCFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-8(10-6-11-7-14-10)12-5-9-3-2-4-13-9/h2-4,6-8,12H,5H2,1H3.
What are the key properties of 1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine?
1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 224.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 115706728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).