N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide

C16H18N2O3S — CID 126775241

IUPACN-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCc1cccc(O)c1)c1cnc(C2CCCO2)s1
InChIInChI=1S/C16H18N2O3S/c19-12-4-1-3-11(9-12)6-7-17-15(20)14-10-18-16(22-14)13-5-2-8-21-13/h1,3-4,9-10,13,19H,2,5-8H2,(H,17,20)
InChIKeyFYJNEHCUEGSBPN-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide

N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 126775241) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID126775241
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCc1cccc(O)c1)c1cnc(C2CCCO2)s1
InChIInChI=1S/C16H18N2O3S/c19-12-4-1-3-11(9-12)6-7-17-15(20)14-10-18-16(22-14)13-5-2-8-21-13/h1,3-4,9-10,13,19H,2,5-8H2,(H,17,20)
InChIKeyFYJNEHCUEGSBPN-UHFFFAOYSA-N
XLogP2.67
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide (CID 126775241) is N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide is O=C(NCCc1cccc(O)c1)c1cnc(C2CCCO2)s1.
What is the InChIKey of N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is FYJNEHCUEGSBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-12-4-1-3-11(9-12)6-7-17-15(20)14-10-18-16(22-14)13-5-2-8-21-13/h1,3-4,9-10,13,19H,2,5-8H2,(H,17,20).
What are the key properties of N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide?
N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126775241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).