1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

C9H11N3S2 — CID 115879082

IUPAC1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCC(NCc1nccs1)c1cscn1
InChIInChI=1S/C9H11N3S2/c1-7(8-5-13-6-12-8)11-4-9-10-2-3-14-9/h2-3,5-7,11H,4H2,1H3
InChIKeyLDRLXAFLMXDAFW-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.45
Rot. Bonds4

About 1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 115879082) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID115879082
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC Name1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCC(NCc1nccs1)c1cscn1
InChIInChI=1S/C9H11N3S2/c1-7(8-5-13-6-12-8)11-4-9-10-2-3-14-9/h2-3,5-7,11H,4H2,1H3
InChIKeyLDRLXAFLMXDAFW-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115889140
5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol
CID 107706299
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357
1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285618
N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879113
N-[(4-bromophenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879170
N-[(3-methyl-4-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 114699058
1-(5-chlorothiophen-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 102976449
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879387
N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115895297
(1S)-1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81353359
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284818

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of 1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 115879082) is 1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is CC(NCc1nccs1)c1cscn1.
What is the InChIKey of 1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is LDRLXAFLMXDAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-7(8-5-13-6-12-8)11-4-9-10-2-3-14-9/h2-3,5-7,11H,4H2,1H3.
What are the key properties of 1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 225.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 115879082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).