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

C15H13N3OS — CID 973101

IUPAC4-[methyl-(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol
SMILESCN(c1ccc(O)cc1)c1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H13N3OS/c1-18(11-5-7-12(19)8-6-11)15-17-14(10-20-15)13-4-2-3-9-16-13/h2-10,19H,1H3
InChIKeyOXXRMKKAGJYBBX-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.68
Rot. Bonds3

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

4-[methyl-(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol (PubChem CID 973101) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-[methyl-(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[methyl-(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol
PubChem CID973101
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name4-[methyl-(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol
SMILESCN(c1ccc(O)cc1)c1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H13N3OS/c1-18(11-5-7-12(19)8-6-11)15-17-14(10-20-15)13-4-2-3-9-16-13/h2-10,19H,1H3
InChIKeyOXXRMKKAGJYBBX-UHFFFAOYSA-N
XLogP3.68
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol?
The IUPAC name of 4-[methyl-(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol (CID 973101) is 4-[methyl-(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol.
What is the SMILES notation for 4-[methyl-(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol?
The canonical SMILES for 4-[methyl-(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol is CN(c1ccc(O)cc1)c1nc(-c2ccccn2)cs1.
What is the InChIKey of 4-[methyl-(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol?
The InChIKey is OXXRMKKAGJYBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-18(11-5-7-12(19)8-6-11)15-17-14(10-20-15)13-4-2-3-9-16-13/h2-10,19H,1H3.
What are the key properties of 4-[methyl-(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol?
4-[methyl-(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol has a molecular weight of 283.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol is sourced from PubChem (CID 973101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).