N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide

C17H15BrN2O2S — CID 22433175

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide
SMILESCCCN(C(=O)c1ccco1)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H15BrN2O2S/c1-2-9-20(16(21)15-4-3-10-22-15)17-19-14(11-23-17)12-5-7-13(18)8-6-12/h3-8,10-11H,2,9H2,1H3
InChIKeyVIDKCUMGBNEAEY-UHFFFAOYSA-N
MW391.29 g/mol
LogP5.22
Rot. Bonds5

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide (PubChem CID 22433175) has the molecular formula C17H15BrN2O2S and a molecular weight of 391.29 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide
PubChem CID22433175
Molecular FormulaC17H15BrN2O2S
Molecular Weight391.29 g/mol
Exact Mass390.00
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide
SMILESCCCN(C(=O)c1ccco1)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H15BrN2O2S/c1-2-9-20(16(21)15-4-3-10-22-15)17-19-14(11-23-17)12-5-7-13(18)8-6-12/h3-8,10-11H,2,9H2,1H3
InChIKeyVIDKCUMGBNEAEY-UHFFFAOYSA-N
XLogP5.22
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.29
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide (CID 22433175) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide is CCCN(C(=O)c1ccco1)c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide?
The InChIKey is VIDKCUMGBNEAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2S/c1-2-9-20(16(21)15-4-3-10-22-15)17-19-14(11-23-17)12-5-7-13(18)8-6-12/h3-8,10-11H,2,9H2,1H3.
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide has a molecular weight of 391.29 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 22433175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).