3-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol

C18H18N2OS — CID 3615081

IUPAC3-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol
SMILESOCCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C18H18N2OS/c21-13-7-12-20-17(15-8-3-1-4-9-15)14-22-18(20)19-16-10-5-2-6-11-16/h1-6,8-11,14,21H,7,12-13H2/b19-18-
InChIKeyMSEPOAQUAHTDKX-HNENSFHCSA-N
MW310.42 g/mol
LogP3.83
Rot. Bonds5

About 3-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol

3-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol (PubChem CID 3615081) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol
PubChem CID3615081
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name3-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol
SMILESOCCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C18H18N2OS/c21-13-7-12-20-17(15-8-3-1-4-9-15)14-22-18(20)19-16-10-5-2-6-11-16/h1-6,8-11,14,21H,7,12-13H2/b19-18-
InChIKeyMSEPOAQUAHTDKX-HNENSFHCSA-N
XLogP3.83
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.83
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-phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol?
The IUPAC name of 3-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol (CID 3615081) is 3-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol?
The canonical SMILES for 3-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol is OCCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1.
What is the InChIKey of 3-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol?
The InChIKey is MSEPOAQUAHTDKX-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2OS/c21-13-7-12-20-17(15-8-3-1-4-9-15)14-22-18(20)19-16-10-5-2-6-11-16/h1-6,8-11,14,21H,7,12-13H2/b19-18-.
What are the key properties of 3-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol?
3-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol has a molecular weight of 310.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol is sourced from PubChem (CID 3615081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).