2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol

C16H21N3OS — CID 107229416

IUPAC2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol
SMILESNc1nsc(N2CCCC(CCO)C2)c1-c1ccccc1
InChIInChI=1S/C16H21N3OS/c17-15-14(13-6-2-1-3-7-13)16(21-18-15)19-9-4-5-12(11-19)8-10-20/h1-3,6-7,12,20H,4-5,8-11H2,(H2,17,18)
InChIKeyVIBOJDHDJMAIPN-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.99
Rot. Bonds4

About 2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol

2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol (PubChem CID 107229416) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol
PubChem CID107229416
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol
SMILESNc1nsc(N2CCCC(CCO)C2)c1-c1ccccc1
InChIInChI=1S/C16H21N3OS/c17-15-14(13-6-2-1-3-7-13)16(21-18-15)19-9-4-5-12(11-19)8-10-20/h1-3,6-7,12,20H,4-5,8-11H2,(H2,17,18)
InChIKeyVIBOJDHDJMAIPN-UHFFFAOYSA-N
XLogP2.99
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
CID 103361985
5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103384010
5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103381127
1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol
CID 103361611
5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine
CID 103379473
2-(3-amino-4-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103383978
[1-(3-amino-4-methyl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
CID 103361986
2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol
CID 103365910
[1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol
CID 62814996
N'-hydroxy-2-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 107227549
3-amino-5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
CID 103384788
4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine
CID 103362091

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol (CID 107229416) is 2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol is Nc1nsc(N2CCCC(CCO)C2)c1-c1ccccc1.
What is the InChIKey of 2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol?
The InChIKey is VIBOJDHDJMAIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c17-15-14(13-6-2-1-3-7-13)16(21-18-15)19-9-4-5-12(11-19)8-10-20/h1-3,6-7,12,20H,4-5,8-11H2,(H2,17,18).
What are the key properties of 2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol?
2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol has a molecular weight of 303.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 107229416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).