[3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol

C17H16N2OS — CID 62900357

IUPAC[3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol
SMILESOCc1cccc(NCc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C17H16N2OS/c20-11-13-5-4-8-15(9-13)18-10-17-19-16(12-21-17)14-6-2-1-3-7-14/h1-9,12,18,20H,10-11H2
InChIKeyRNFQZEKAQFNWGM-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.91
Rot. Bonds5

About [3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol

[3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol (PubChem CID 62900357) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is [3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol
PubChem CID62900357
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name[3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol
SMILESOCc1cccc(NCc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C17H16N2OS/c20-11-13-5-4-8-15(9-13)18-10-17-19-16(12-21-17)14-6-2-1-3-7-14/h1-9,12,18,20H,10-11H2
InChIKeyRNFQZEKAQFNWGM-UHFFFAOYSA-N
XLogP3.91
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol?
The IUPAC name of [3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol (CID 62900357) is [3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol?
The canonical SMILES for [3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol is OCc1cccc(NCc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of [3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol?
The InChIKey is RNFQZEKAQFNWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-11-13-5-4-8-15(9-13)18-10-17-19-16(12-21-17)14-6-2-1-3-7-14/h1-9,12,18,20H,10-11H2.
What are the key properties of [3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol?
[3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol has a molecular weight of 296.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 62900357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).