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

C15H13N3OS2 — CID 24826425

IUPAC2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol
SMILESCc1csc(Nc2cc(Sc3ccccc3O)ccn2)n1
InChIInChI=1S/C15H13N3OS2/c1-10-9-20-15(17-10)18-14-8-11(6-7-16-14)21-13-5-3-2-4-12(13)19/h2-9,19H,1H3,(H,16,17,18)
InChIKeyJQWFNBNZEFFNDR-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.45
Rot. Bonds4

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

2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol (PubChem CID 24826425) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol.

Molecular Properties

Compound Name2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol
PubChem CID24826425
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol
SMILESCc1csc(Nc2cc(Sc3ccccc3O)ccn2)n1
InChIInChI=1S/C15H13N3OS2/c1-10-9-20-15(17-10)18-14-8-11(6-7-16-14)21-13-5-3-2-4-12(13)19/h2-9,19H,1H3,(H,16,17,18)
InChIKeyJQWFNBNZEFFNDR-UHFFFAOYSA-N
XLogP4.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol?
The IUPAC name of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol (CID 24826425) is 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol.
What is the SMILES notation for 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol?
The canonical SMILES for 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol is Cc1csc(Nc2cc(Sc3ccccc3O)ccn2)n1.
What is the InChIKey of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol?
The InChIKey is JQWFNBNZEFFNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-10-9-20-15(17-10)18-14-8-11(6-7-16-14)21-13-5-3-2-4-12(13)19/h2-9,19H,1H3,(H,16,17,18).
What are the key properties of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol?
2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol has a molecular weight of 315.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol is sourced from PubChem (CID 24826425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).