N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide

C10H8BrN3OS — CID 63024055

IUPACN-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1cc(Br)ccc1NC(=O)c1cscn1
InChIInChI=1S/C10H8BrN3OS/c11-6-1-2-8(7(12)3-6)14-10(15)9-4-16-5-13-9/h1-5H,12H2,(H,14,15)
InChIKeyOJUDNTATRSCVDC-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.74
Rot. Bonds2

About N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide

N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 63024055) has the molecular formula C10H8BrN3OS and a molecular weight of 298.17 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide
PubChem CID63024055
Molecular FormulaC10H8BrN3OS
Molecular Weight298.17 g/mol
Exact Mass296.96
IUPAC NameN-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1cc(Br)ccc1NC(=O)c1cscn1
InChIInChI=1S/C10H8BrN3OS/c11-6-1-2-8(7(12)3-6)14-10(15)9-4-16-5-13-9/h1-5H,12H2,(H,14,15)
InChIKeyOJUDNTATRSCVDC-UHFFFAOYSA-N
XLogP2.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide
CID 62958937
N-[5-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 107800652
N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 104814470
N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 102848003
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 75425983
4-amino-2-(1,3-thiazole-4-carbonylamino)benzoic acid
CID 63116149
N-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide
CID 62278188
N-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide
CID 106683097
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 103097885
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 82685689

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide (CID 63024055) is N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide is Nc1cc(Br)ccc1NC(=O)c1cscn1.
What is the InChIKey of N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OJUDNTATRSCVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3OS/c11-6-1-2-8(7(12)3-6)14-10(15)9-4-16-5-13-9/h1-5H,12H2,(H,14,15).
What are the key properties of N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide?
N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 298.17 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63024055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).