[4-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]phenyl]methanol

C18H17NOS — CID 134150806

IUPAC[4-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]phenyl]methanol
SMILESCc1nc(-c2ccc(-c3ccc(CO)cc3)cc2)c(C)s1
InChIInChI=1S/C18H17NOS/c1-12-18(19-13(2)21-12)17-9-7-16(8-10-17)15-5-3-14(11-20)4-6-15/h3-10,20H,11H2,1-2H3
InChIKeyNECCAGLASDCDJC-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.59
Rot. Bonds3

About [4-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]phenyl]methanol

[4-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]phenyl]methanol (PubChem CID 134150806) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is [4-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]phenyl]methanol
PubChem CID134150806
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name[4-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]phenyl]methanol
SMILESCc1nc(-c2ccc(-c3ccc(CO)cc3)cc2)c(C)s1
InChIInChI=1S/C18H17NOS/c1-12-18(19-13(2)21-12)17-9-7-16(8-10-17)15-5-3-14(11-20)4-6-15/h3-10,20H,11H2,1-2H3
InChIKeyNECCAGLASDCDJC-UHFFFAOYSA-N
XLogP4.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]phenyl]methanol?
The IUPAC name of [4-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]phenyl]methanol (CID 134150806) is [4-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]phenyl]methanol.
What is the SMILES notation for [4-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]phenyl]methanol?
The canonical SMILES for [4-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]phenyl]methanol is Cc1nc(-c2ccc(-c3ccc(CO)cc3)cc2)c(C)s1.
What is the InChIKey of [4-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]phenyl]methanol?
The InChIKey is NECCAGLASDCDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-12-18(19-13(2)21-12)17-9-7-16(8-10-17)15-5-3-14(11-20)4-6-15/h3-10,20H,11H2,1-2H3.
What are the key properties of [4-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]phenyl]methanol?
[4-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]phenyl]methanol has a molecular weight of 295.41 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]phenyl]methanol is sourced from PubChem (CID 134150806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).