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

C16H16N2OS2 — CID 103685198

IUPAC2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-3-ylethanol
SMILESOC(CNCc1nc(-c2ccccc2)cs1)c1ccsc1
InChIInChI=1S/C16H16N2OS2/c19-15(13-6-7-20-10-13)8-17-9-16-18-14(11-21-16)12-4-2-1-3-5-12/h1-7,10-11,15,17,19H,8-9H2
InChIKeyQKWJUJYUMCZUAV-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.69
Rot. Bonds6

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

2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-3-ylethanol (PubChem CID 103685198) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-3-ylethanol
PubChem CID103685198
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC Name2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-3-ylethanol
SMILESOC(CNCc1nc(-c2ccccc2)cs1)c1ccsc1
InChIInChI=1S/C16H16N2OS2/c19-15(13-6-7-20-10-13)8-17-9-16-18-14(11-21-16)12-4-2-1-3-5-12/h1-7,10-11,15,17,19H,8-9H2
InChIKeyQKWJUJYUMCZUAV-UHFFFAOYSA-N
XLogP3.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]phenyl]acetic acid
CID 106435361
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid
CID 106435892
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 106434750
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol
CID 111440463
2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol
CID 103578658
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685180
2-[(1-benzylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440398
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-3-ylethanol (CID 103685198) is 2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-3-ylethanol is OC(CNCc1nc(-c2ccccc2)cs1)c1ccsc1.
What is the InChIKey of 2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-3-ylethanol?
The InChIKey is QKWJUJYUMCZUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c19-15(13-6-7-20-10-13)8-17-9-16-18-14(11-21-16)12-4-2-1-3-5-12/h1-7,10-11,15,17,19H,8-9H2.
What are the key properties of 2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-3-ylethanol?
2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-3-ylethanol has a molecular weight of 316.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103685198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).