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

C18H17BrN2OS — CID 3665481

IUPAC3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol
SMILESOCCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C18H17BrN2OS/c19-15-9-7-14(8-10-15)17-13-23-18(21(17)11-4-12-22)20-16-5-2-1-3-6-16/h1-3,5-10,13,22H,4,11-12H2/b20-18-
InChIKeyGQJFGCPSLOTCPL-ZZEZOPTASA-N
MW389.32 g/mol
LogP4.59
Rot. Bonds5

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

3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol (PubChem CID 3665481) has the molecular formula C18H17BrN2OS and a molecular weight of 389.32 g/mol. Its IUPAC name is 3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol
PubChem CID3665481
Molecular FormulaC18H17BrN2OS
Molecular Weight389.32 g/mol
Exact Mass388.02
IUPAC Name3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol
SMILESOCCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C18H17BrN2OS/c19-15-9-7-14(8-10-15)17-13-23-18(21(17)11-4-12-22)20-16-5-2-1-3-6-16/h1-3,5-10,13,22H,4,11-12H2/b20-18-
InChIKeyGQJFGCPSLOTCPL-ZZEZOPTASA-N
XLogP4.59
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 54.59
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-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol?
The IUPAC name of 3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol (CID 3665481) is 3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol is OCCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccccc1.
What is the InChIKey of 3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol?
The InChIKey is GQJFGCPSLOTCPL-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17BrN2OS/c19-15-9-7-14(8-10-15)17-13-23-18(21(17)11-4-12-22)20-16-5-2-1-3-6-16/h1-3,5-10,13,22H,4,11-12H2/b20-18-.
What are the key properties of 3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol?
3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol has a molecular weight of 389.32 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propan-1-ol is sourced from PubChem (CID 3665481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).