N-(4-bromophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide

C16H12BrN3O3S — CID 650753

IUPACN-(4-bromophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O3S/c1-9-13(15(22)19-11-6-4-10(17)5-7-11)24-16(18-9)20-14(21)12-3-2-8-23-12/h2-8H,1H3,(H,19,22)(H,18,20,21)
InChIKeyKTSRGLNPLHBBPJ-UHFFFAOYSA-N
MW406.26 g/mol
LogP4.31
Rot. Bonds4

About N-(4-bromophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide

N-(4-bromophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 650753) has the molecular formula C16H12BrN3O3S and a molecular weight of 406.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID650753
Molecular FormulaC16H12BrN3O3S
Molecular Weight406.26 g/mol
Exact Mass404.98
IUPAC NameN-(4-bromophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O3S/c1-9-13(15(22)19-11-6-4-10(17)5-7-11)24-16(18-9)20-14(21)12-3-2-8-23-12/h2-8H,1H3,(H,19,22)(H,18,20,21)
InChIKeyKTSRGLNPLHBBPJ-UHFFFAOYSA-N
XLogP4.31
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide (CID 650753) is N-(4-bromophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is KTSRGLNPLHBBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3S/c1-9-13(15(22)19-11-6-4-10(17)5-7-11)24-16(18-9)20-14(21)12-3-2-8-23-12/h2-8H,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-(4-bromophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
N-(4-bromophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 406.26 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 650753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).