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

C13H10N4OS — CID 972705

IUPAC4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(-c2csc(Nc3ncccn3)n2)cc1
InChIInChI=1S/C13H10N4OS/c18-10-4-2-9(3-5-10)11-8-19-13(16-11)17-12-14-6-1-7-15-12/h1-8,18H,(H,14,15,16,17)
InChIKeyUHBVWOBZRJFYHZ-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.05
Rot. Bonds3

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

4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol (PubChem CID 972705) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol
PubChem CID972705
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol
SMILESOc1ccc(-c2csc(Nc3ncccn3)n2)cc1
InChIInChI=1S/C13H10N4OS/c18-10-4-2-9(3-5-10)11-8-19-13(16-11)17-12-14-6-1-7-15-12/h1-8,18H,(H,14,15,16,17)
InChIKeyUHBVWOBZRJFYHZ-UHFFFAOYSA-N
XLogP3.05
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol (CID 972705) is 4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol is Oc1ccc(-c2csc(Nc3ncccn3)n2)cc1.
What is the InChIKey of 4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol?
The InChIKey is UHBVWOBZRJFYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c18-10-4-2-9(3-5-10)11-8-19-13(16-11)17-12-14-6-1-7-15-12/h1-8,18H,(H,14,15,16,17).
What are the key properties of 4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol?
4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol has a molecular weight of 270.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 972705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).