N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylformamide

C14H9BrN2OS2 — CID 53433351

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylformamide
SMILESO=CN(c1cccs1)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C14H9BrN2OS2/c15-11-5-3-10(4-6-11)12-8-20-14(16-12)17(9-18)13-2-1-7-19-13/h1-9H
InChIKeyJQDSMIGOOZTMED-UHFFFAOYSA-N
MW365.28 g/mol
LogP4.93
Rot. Bonds4

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylformamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylformamide (PubChem CID 53433351) has the molecular formula C14H9BrN2OS2 and a molecular weight of 365.28 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylformamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylformamide
PubChem CID53433351
Molecular FormulaC14H9BrN2OS2
Molecular Weight365.28 g/mol
Exact Mass363.93
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylformamide
SMILESO=CN(c1cccs1)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C14H9BrN2OS2/c15-11-5-3-10(4-6-11)12-8-20-14(16-12)17(9-18)13-2-1-7-19-13/h1-9H
InChIKeyJQDSMIGOOZTMED-UHFFFAOYSA-N
XLogP4.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
CID 2756846
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carbohydrazide
CID 90803773
4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole
CID 7967432
4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 79839724
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide
CID 22433390
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide
CID 22433175
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
CID 3520878
N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide
CID 53432877
N-benzyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-ethoxypropanamide
CID 56500554
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazine;hydrochloride
CID 90481496
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-azabicyclo[2.2.2]octan-3-one
CID 25007104

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylformamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylformamide (CID 53433351) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylformamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylformamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylformamide is O=CN(c1cccs1)c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylformamide?
The InChIKey is JQDSMIGOOZTMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2OS2/c15-11-5-3-10(4-6-11)12-8-20-14(16-12)17(9-18)13-2-1-7-19-13/h1-9H.
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylformamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylformamide has a molecular weight of 365.28 g/mol, XLogP of 4.93, 4 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-thiophen-2-ylformamide is sourced from PubChem (CID 53433351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).