3-[4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol

C19H20N2OS — CID 3883792

IUPAC3-[4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol
SMILESCc1ccc(-c2cs/c(=N\c3ccccc3)n2CCCO)cc1
InChIInChI=1S/C19H20N2OS/c1-15-8-10-16(11-9-15)18-14-23-19(21(18)12-5-13-22)20-17-6-3-2-4-7-17/h2-4,6-11,14,22H,5,12-13H2,1H3/b20-19-
InChIKeyICFGAZWLXBLDNE-VXPUYCOJSA-N
MW324.45 g/mol
LogP4.14
Rot. Bonds5

About 3-[4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol

3-[4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol (PubChem CID 3883792) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol
PubChem CID3883792
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name3-[4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol
SMILESCc1ccc(-c2cs/c(=N\c3ccccc3)n2CCCO)cc1
InChIInChI=1S/C19H20N2OS/c1-15-8-10-16(11-9-15)18-14-23-19(21(18)12-5-13-22)20-17-6-3-2-4-7-17/h2-4,6-11,14,22H,5,12-13H2,1H3/b20-19-
InChIKeyICFGAZWLXBLDNE-VXPUYCOJSA-N
XLogP4.14
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol?
The IUPAC name of 3-[4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol (CID 3883792) is 3-[4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol is Cc1ccc(-c2cs/c(=N\c3ccccc3)n2CCCO)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol?
The InChIKey is ICFGAZWLXBLDNE-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-15-8-10-16(11-9-15)18-14-23-19(21(18)12-5-13-22)20-17-6-3-2-4-7-17/h2-4,6-11,14,22H,5,12-13H2,1H3/b20-19-.
What are the key properties of 3-[4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol?
3-[4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol has a molecular weight of 324.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol is sourced from PubChem (CID 3883792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).