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

C14H11N3OS — CID 973016

IUPAC4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(-c2csc(Nc3cccnc3)n2)cc1
InChIInChI=1S/C14H11N3OS/c18-12-5-3-10(4-6-12)13-9-19-14(17-13)16-11-2-1-7-15-8-11/h1-9,18H,(H,16,17)
InChIKeyRLAPDBJXZHVVCY-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.65
Rot. Bonds3

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

4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenol (PubChem CID 973016) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenol
PubChem CID973016
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(-c2csc(Nc3cccnc3)n2)cc1
InChIInChI=1S/C14H11N3OS/c18-12-5-3-10(4-6-12)13-9-19-14(17-13)16-11-2-1-7-15-8-11/h1-9,18H,(H,16,17)
InChIKeyRLAPDBJXZHVVCY-UHFFFAOYSA-N
XLogP3.65
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenol (CID 973016) is 4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenol is Oc1ccc(-c2csc(Nc3cccnc3)n2)cc1.
What is the InChIKey of 4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenol?
The InChIKey is RLAPDBJXZHVVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-12-5-3-10(4-6-12)13-9-19-14(17-13)16-11-2-1-7-15-8-11/h1-9,18H,(H,16,17).
What are the key properties of 4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenol?
4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenol has a molecular weight of 269.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 973016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).