4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol

C16H15N3OS — CID 82542113

IUPAC4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol
SMILESCC(N)c1sc(-c2ccncc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C16H15N3OS/c1-10(17)15-14(11-2-4-13(20)5-3-11)19-16(21-15)12-6-8-18-9-7-12/h2-10,20H,17H2,1H3
InChIKeyXDWFVKMXRRAONL-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.60
Rot. Bonds3

About 4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol

4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol (PubChem CID 82542113) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol
PubChem CID82542113
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol
SMILESCC(N)c1sc(-c2ccncc2)nc1-c1ccc(O)cc1
InChIInChI=1S/C16H15N3OS/c1-10(17)15-14(11-2-4-13(20)5-3-11)19-16(21-15)12-6-8-18-9-7-12/h2-10,20H,17H2,1H3
InChIKeyXDWFVKMXRRAONL-UHFFFAOYSA-N
XLogP3.60
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol (CID 82542113) is 4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol is CC(N)c1sc(-c2ccncc2)nc1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol?
The InChIKey is XDWFVKMXRRAONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10(17)15-14(11-2-4-13(20)5-3-11)19-16(21-15)12-6-8-18-9-7-12/h2-10,20H,17H2,1H3.
What are the key properties of 4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol?
4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol has a molecular weight of 297.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 82542113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).