2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine

C13H16N2S — CID 82475374

IUPAC2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine
SMILESCCc1ccc(-c2cc(CCN)sn2)cc1
InChIInChI=1S/C13H16N2S/c1-2-10-3-5-11(6-4-10)13-9-12(7-8-14)16-15-13/h3-6,9H,2,7-8,14H2,1H3
InChIKeyLISNBDCRPAUAQT-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.87
Rot. Bonds4

About 2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine

2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine (PubChem CID 82475374) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine
PubChem CID82475374
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine
SMILESCCc1ccc(-c2cc(CCN)sn2)cc1
InChIInChI=1S/C13H16N2S/c1-2-10-3-5-11(6-4-10)13-9-12(7-8-14)16-15-13/h3-6,9H,2,7-8,14H2,1H3
InChIKeyLISNBDCRPAUAQT-UHFFFAOYSA-N
XLogP2.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(4-ethylphenyl)-3-pyridinyl]ethanamine
CID 117001771
2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine
CID 82288033
[3-(4-tert-butylphenyl)-1,2-thiazol-5-yl]methanamine
CID 82479628
N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
CID 82102821
[4-(4-ethylphenyl)phenyl]methanamine;hydrochloride
CID 178203189
2-[4,6-diethyl-2-(4-ethylphenyl)pyrimidin-5-yl]ethanamine
CID 79219938
3-[3-(4-methylphenyl)-1,2-thiazol-5-yl]propanoic acid
CID 82479922
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 24854875
4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol
CID 137045534
2,5-bis(4-ethylphenyl)pyridine
CID 101383412
2-(5-ethyl-2-pyridinyl)ethanamine;hydrochloride
CID 76847658
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine (CID 82475374) is 2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine is CCc1ccc(-c2cc(CCN)sn2)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine?
The InChIKey is LISNBDCRPAUAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-2-10-3-5-11(6-4-10)13-9-12(7-8-14)16-15-13/h3-6,9H,2,7-8,14H2,1H3.
What are the key properties of 2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine?
2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine has a molecular weight of 232.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82475374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).