N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide

C17H13BrN4O2S — CID 78775294

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide
SMILESNC(=O)Nc1ccc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1
InChIInChI=1S/C17H13BrN4O2S/c18-12-3-1-2-11(8-12)14-9-25-17(21-14)22-15(23)10-4-6-13(7-5-10)20-16(19)24/h1-9H,(H3,19,20,24)(H,21,22,23)
InChIKeyFVKJDTATOKNLHX-UHFFFAOYSA-N
MW417.29 g/mol
LogP4.32
Rot. Bonds4

About N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide (PubChem CID 78775294) has the molecular formula C17H13BrN4O2S and a molecular weight of 417.29 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide
PubChem CID78775294
Molecular FormulaC17H13BrN4O2S
Molecular Weight417.29 g/mol
Exact Mass415.99
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide
SMILESNC(=O)Nc1ccc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1
InChIInChI=1S/C17H13BrN4O2S/c18-12-3-1-2-11(8-12)14-9-25-17(21-14)22-15(23)10-4-6-13(7-5-10)20-16(19)24/h1-9H,(H3,19,20,24)(H,21,22,23)
InChIKeyFVKJDTATOKNLHX-UHFFFAOYSA-N
XLogP4.32
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 19195083
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 19195103
5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 19196356
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55334288
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 78803523
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
CID 60565091
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197485
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338346

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide (CID 78775294) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide is NC(=O)Nc1ccc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide?
The InChIKey is FVKJDTATOKNLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2S/c18-12-3-1-2-11(8-12)14-9-25-17(21-14)22-15(23)10-4-6-13(7-5-10)20-16(19)24/h1-9H,(H3,19,20,24)(H,21,22,23).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide has a molecular weight of 417.29 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide is sourced from PubChem (CID 78775294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).