(4-naphthalen-1-yl-2-phenyl-1,3-thiazol-5-yl)-phenylmethanol

C26H19NOS — CID 11234780

IUPAC(4-naphthalen-1-yl-2-phenyl-1,3-thiazol-5-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1sc(-c2ccccc2)nc1-c1cccc2ccccc12
InChIInChI=1S/C26H19NOS/c28-24(19-11-3-1-4-12-19)25-23(27-26(29-25)20-13-5-2-6-14-20)22-17-9-15-18-10-7-8-16-21(18)22/h1-17,24,28H
InChIKeyMTNAGRLOBMBTPR-UHFFFAOYSA-N
MW393.51 g/mol
LogP6.71
Rot. Bonds4

About (4-naphthalen-1-yl-2-phenyl-1,3-thiazol-5-yl)-phenylmethanol

(4-naphthalen-1-yl-2-phenyl-1,3-thiazol-5-yl)-phenylmethanol (PubChem CID 11234780) has the molecular formula C26H19NOS and a molecular weight of 393.51 g/mol. Its IUPAC name is (4-naphthalen-1-yl-2-phenyl-1,3-thiazol-5-yl)-phenylmethanol.

Molecular Properties

Compound Name(4-naphthalen-1-yl-2-phenyl-1,3-thiazol-5-yl)-phenylmethanol
PubChem CID11234780
Molecular FormulaC26H19NOS
Molecular Weight393.51 g/mol
Exact Mass393.12
IUPAC Name(4-naphthalen-1-yl-2-phenyl-1,3-thiazol-5-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1sc(-c2ccccc2)nc1-c1cccc2ccccc12
InChIInChI=1S/C26H19NOS/c28-24(19-11-3-1-4-12-19)25-23(27-26(29-25)20-13-5-2-6-14-20)22-17-9-15-18-10-7-8-16-21(18)22/h1-17,24,28H
InChIKeyMTNAGRLOBMBTPR-UHFFFAOYSA-N
XLogP6.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-naphthalen-1-yl-2-phenyl-1,3-thiazol-5-yl)-phenylmethanol?
The IUPAC name of (4-naphthalen-1-yl-2-phenyl-1,3-thiazol-5-yl)-phenylmethanol (CID 11234780) is (4-naphthalen-1-yl-2-phenyl-1,3-thiazol-5-yl)-phenylmethanol.
What is the SMILES notation for (4-naphthalen-1-yl-2-phenyl-1,3-thiazol-5-yl)-phenylmethanol?
The canonical SMILES for (4-naphthalen-1-yl-2-phenyl-1,3-thiazol-5-yl)-phenylmethanol is OC(c1ccccc1)c1sc(-c2ccccc2)nc1-c1cccc2ccccc12.
What is the InChIKey of (4-naphthalen-1-yl-2-phenyl-1,3-thiazol-5-yl)-phenylmethanol?
The InChIKey is MTNAGRLOBMBTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NOS/c28-24(19-11-3-1-4-12-19)25-23(27-26(29-25)20-13-5-2-6-14-20)22-17-9-15-18-10-7-8-16-21(18)22/h1-17,24,28H.
What are the key properties of (4-naphthalen-1-yl-2-phenyl-1,3-thiazol-5-yl)-phenylmethanol?
(4-naphthalen-1-yl-2-phenyl-1,3-thiazol-5-yl)-phenylmethanol has a molecular weight of 393.51 g/mol, XLogP of 6.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-naphthalen-1-yl-2-phenyl-1,3-thiazol-5-yl)-phenylmethanol is sourced from PubChem (CID 11234780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).