N-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

C17H12BrFN2OS — CID 10091829

IUPACN-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1csc(Cc2ccccc2F)n1
InChIInChI=1S/C17H12BrFN2OS/c18-12-5-7-13(8-6-12)20-17(22)15-10-23-16(21-15)9-11-3-1-2-4-14(11)19/h1-8,10H,9H2,(H,20,22)
InChIKeyQQFSFVAAVQKECN-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.89
Rot. Bonds4

About N-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

N-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 10091829) has the molecular formula C17H12BrFN2OS and a molecular weight of 391.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID10091829
Molecular FormulaC17H12BrFN2OS
Molecular Weight391.27 g/mol
Exact Mass389.98
IUPAC NameN-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1csc(Cc2ccccc2F)n1
InChIInChI=1S/C17H12BrFN2OS/c18-12-5-7-13(8-6-12)20-17(22)15-10-23-16(21-15)9-11-3-1-2-4-14(11)19/h1-8,10H,9H2,(H,20,22)
InChIKeyQQFSFVAAVQKECN-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 10091829) is N-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Br)cc1)c1csc(Cc2ccccc2F)n1.
What is the InChIKey of N-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QQFSFVAAVQKECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2OS/c18-12-5-7-13(8-6-12)20-17(22)15-10-23-16(21-15)9-11-3-1-2-4-14(11)19/h1-8,10H,9H2,(H,20,22).
What are the key properties of N-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
N-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 10091829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).