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

C15H13N3OS — CID 972804

IUPAC4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenol
SMILESCc1ccnc(Nc2nc(-c3ccc(O)cc3)cs2)c1
InChIInChI=1S/C15H13N3OS/c1-10-6-7-16-14(8-10)18-15-17-13(9-20-15)11-2-4-12(19)5-3-11/h2-9,19H,1H3,(H,16,17,18)
InChIKeyICXWPIREUGUFIF-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.96
Rot. Bonds3

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

4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenol (PubChem CID 972804) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenol
PubChem CID972804
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenol
SMILESCc1ccnc(Nc2nc(-c3ccc(O)cc3)cs2)c1
InChIInChI=1S/C15H13N3OS/c1-10-6-7-16-14(8-10)18-15-17-13(9-20-15)11-2-4-12(19)5-3-11/h2-9,19H,1H3,(H,16,17,18)
InChIKeyICXWPIREUGUFIF-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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenol (CID 972804) is 4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenol is Cc1ccnc(Nc2nc(-c3ccc(O)cc3)cs2)c1.
What is the InChIKey of 4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenol?
The InChIKey is ICXWPIREUGUFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-10-6-7-16-14(8-10)18-15-17-13(9-20-15)11-2-4-12(19)5-3-11/h2-9,19H,1H3,(H,16,17,18).
What are the key properties of 4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenol?
4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]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 4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 972804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).