2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol

C13H18N2OS2 — CID 82103012

IUPAC2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
SMILESCCC(CO)NCCc1nc(-c2cccs2)cs1
InChIInChI=1S/C13H18N2OS2/c1-2-10(8-16)14-6-5-13-15-11(9-18-13)12-4-3-7-17-12/h3-4,7,9-10,14,16H,2,5-6,8H2,1H3
InChIKeyMEUGUZDTYGVWFC-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.77
Rot. Bonds7

About 2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol

2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol (PubChem CID 82103012) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
PubChem CID82103012
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC Name2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
SMILESCCC(CO)NCCc1nc(-c2cccs2)cs1
InChIInChI=1S/C13H18N2OS2/c1-2-10(8-16)14-6-5-13-15-11(9-18-13)12-4-3-7-17-12/h3-4,7,9-10,14,16H,2,5-6,8H2,1H3
InChIKeyMEUGUZDTYGVWFC-UHFFFAOYSA-N
XLogP2.77
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol with MolForge

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Related Compounds

2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103016
2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol
CID 82117281
(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 94893161
3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol
CID 116969681
methyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate
CID 82103021
3-[methyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]amino]propanoic acid
CID 82103529
2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butanoic acid
CID 116969594
3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol
CID 116968907
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
2-(2-phenylethylamino)butan-1-ol
CID 17157372
ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene
CID 67124964
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol?
The IUPAC name of 2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol (CID 82103012) is 2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for 2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol is CCC(CO)NCCc1nc(-c2cccs2)cs1.
What is the InChIKey of 2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol?
The InChIKey is MEUGUZDTYGVWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-2-10(8-16)14-6-5-13-15-11(9-18-13)12-4-3-7-17-12/h3-4,7,9-10,14,16H,2,5-6,8H2,1H3.
What are the key properties of 2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol?
2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol has a molecular weight of 282.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 82103012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).