2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol

C12H16N2OS2 — CID 103685180

IUPAC2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol
SMILESCc1nc(C)c(CNCC(O)c2ccsc2)s1
InChIInChI=1S/C12H16N2OS2/c1-8-12(17-9(2)14-8)6-13-5-11(15)10-3-4-16-7-10/h3-4,7,11,13,15H,5-6H2,1-2H3
InChIKeyDIWGQKYAAYHWMX-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.64
Rot. Bonds5

About 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol

2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol (PubChem CID 103685180) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol
PubChem CID103685180
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol
SMILESCc1nc(C)c(CNCC(O)c2ccsc2)s1
InChIInChI=1S/C12H16N2OS2/c1-8-12(17-9(2)14-8)6-13-5-11(15)10-3-4-16-7-10/h3-4,7,11,13,15H,5-6H2,1-2H3
InChIKeyDIWGQKYAAYHWMX-UHFFFAOYSA-N
XLogP2.64
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol
CID 106435304
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685342
2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]-4-methylphenol
CID 103685227
2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
CID 104755790
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 106434750
2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol
CID 102609668
2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103943964
2-(1H-pyrazol-5-ylmethylamino)-1-thiophen-3-ylethanol
CID 111440446
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440437

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol (CID 103685180) is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol is Cc1nc(C)c(CNCC(O)c2ccsc2)s1.
What is the InChIKey of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol?
The InChIKey is DIWGQKYAAYHWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-8-12(17-9(2)14-8)6-13-5-11(15)10-3-4-16-7-10/h3-4,7,11,13,15H,5-6H2,1-2H3.
What are the key properties of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol?
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol has a molecular weight of 268.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103685180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).