5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]phenol

C17H13N5O2S — CID 91646162

IUPAC5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]phenol
SMILESCOc1ccc(-c2csc(Nc3ncnc4ncccc34)n2)c(O)c1
InChIInChI=1S/C17H13N5O2S/c1-24-10-4-5-11(14(23)7-10)13-8-25-17(21-13)22-16-12-3-2-6-18-15(12)19-9-20-16/h2-9,23H,1H3,(H,18,19,20,21,22)
InChIKeyCHJBCRBYYNUHOD-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.61
Rot. Bonds4

About 5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]phenol

5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]phenol (PubChem CID 91646162) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]phenol
PubChem CID91646162
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC Name5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]phenol
SMILESCOc1ccc(-c2csc(Nc3ncnc4ncccc34)n2)c(O)c1
InChIInChI=1S/C17H13N5O2S/c1-24-10-4-5-11(14(23)7-10)13-8-25-17(21-13)22-16-12-3-2-6-18-15(12)19-9-20-16/h2-9,23H,1H3,(H,18,19,20,21,22)
InChIKeyCHJBCRBYYNUHOD-UHFFFAOYSA-N
XLogP3.61
TPSA93.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]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 5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]phenol (CID 91646162) is 5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]phenol is COc1ccc(-c2csc(Nc3ncnc4ncccc34)n2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]phenol?
The InChIKey is CHJBCRBYYNUHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c1-24-10-4-5-11(14(23)7-10)13-8-25-17(21-13)22-16-12-3-2-6-18-15(12)19-9-20-16/h2-9,23H,1H3,(H,18,19,20,21,22).
What are the key properties of 5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]phenol?
5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]phenol has a molecular weight of 351.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[2-(pyrido[2,3-d]pyrimidin-4-ylamino)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 91646162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).