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

C15H13N3OS — CID 973002

IUPAC3-methyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol
SMILESCc1cc(O)ccc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C15H13N3OS/c1-10-7-12(19)4-5-13(10)17-15-18-14(9-20-15)11-3-2-6-16-8-11/h2-9,19H,1H3,(H,17,18)
InChIKeyPQGFKOQKMYHLRJ-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.96
Rot. Bonds3

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

3-methyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol (PubChem CID 973002) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-methyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol.

Molecular Properties

Compound Name3-methyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol
PubChem CID973002
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name3-methyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol
SMILESCc1cc(O)ccc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C15H13N3OS/c1-10-7-12(19)4-5-13(10)17-15-18-14(9-20-15)11-3-2-6-16-8-11/h2-9,19H,1H3,(H,17,18)
InChIKeyPQGFKOQKMYHLRJ-UHFFFAOYSA-N
XLogP3.96
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-Methyl-2-Methylamino-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol
CID 447960
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-phenol
CID 704553
Azd-2184
CID 16663275
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]phenol
CID 697280
4-{[4-(2,4-Difluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 779213
4-{[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 972868
4-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]phenol
CID 6539291
4-[4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-ylamino]phenol
CID 6539292
4-(4-(2-Fluorophenyl)thiazol-2-ylamino)phenol
CID 25100438
N-aryl-4-aryl-1,3-thiazole-2-amine, 8
CID 25100439
N-aryl-4-aryl-1,3-thiazole-2-amine, 17
CID 25100735
Rki-1447
CID 60138149

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol?
The IUPAC name of 3-methyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol (CID 973002) is 3-methyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol.
What is the SMILES notation for 3-methyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol?
The canonical SMILES for 3-methyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol is Cc1cc(O)ccc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 3-methyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol?
The InChIKey is PQGFKOQKMYHLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-10-7-12(19)4-5-13(10)17-15-18-14(9-20-15)11-3-2-6-16-8-11/h2-9,19H,1H3,(H,17,18).
What are the key properties of 3-methyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol?
3-methyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol has a molecular weight of 283.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol is sourced from PubChem (CID 973002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).