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

C16H15N3O2S — CID 16660331

IUPAC3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxymethyl]phenol
SMILESCc1csc(Nc2ncccc2OCc2cccc(O)c2)n1
InChIInChI=1S/C16H15N3O2S/c1-11-10-22-16(18-11)19-15-14(6-3-7-17-15)21-9-12-4-2-5-13(20)8-12/h2-8,10,20H,9H2,1H3,(H,17,18,19)
InChIKeyHTKWUSGOXZAEKN-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.87
Rot. Bonds5

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

3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxymethyl]phenol (PubChem CID 16660331) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxymethyl]phenol.

Molecular Properties

Compound Name3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxymethyl]phenol
PubChem CID16660331
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxymethyl]phenol
SMILESCc1csc(Nc2ncccc2OCc2cccc(O)c2)n1
InChIInChI=1S/C16H15N3O2S/c1-11-10-22-16(18-11)19-15-14(6-3-7-17-15)21-9-12-4-2-5-13(20)8-12/h2-8,10,20H,9H2,1H3,(H,17,18,19)
InChIKeyHTKWUSGOXZAEKN-UHFFFAOYSA-N
XLogP3.87
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxymethyl]phenol?
The IUPAC name of 3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxymethyl]phenol (CID 16660331) is 3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxymethyl]phenol.
What is the SMILES notation for 3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxymethyl]phenol?
The canonical SMILES for 3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxymethyl]phenol is Cc1csc(Nc2ncccc2OCc2cccc(O)c2)n1.
What is the InChIKey of 3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxymethyl]phenol?
The InChIKey is HTKWUSGOXZAEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-11-10-22-16(18-11)19-15-14(6-3-7-17-15)21-9-12-4-2-5-13(20)8-12/h2-8,10,20H,9H2,1H3,(H,17,18,19).
What are the key properties of 3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxymethyl]phenol?
3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxymethyl]phenol has a molecular weight of 313.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxymethyl]phenol is sourced from PubChem (CID 16660331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).