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

C11H10BrN3OS — CID 65199281

IUPACN-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(N)cc2Br)cs1
InChIInChI=1S/C11H10BrN3OS/c1-6-14-10(5-17-6)11(16)15-9-3-2-7(13)4-8(9)12/h2-5H,13H2,1H3,(H,15,16)
InChIKeyPSNOMUWQVHKUKP-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.05
Rot. Bonds2

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

N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 65199281) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID65199281
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC NameN-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(N)cc2Br)cs1
InChIInChI=1S/C11H10BrN3OS/c1-6-14-10(5-17-6)11(16)15-9-3-2-7(13)4-8(9)12/h2-5H,13H2,1H3,(H,15,16)
InChIKeyPSNOMUWQVHKUKP-UHFFFAOYSA-N
XLogP3.05
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.05
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-[4-amino-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65199742
4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62153202
N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199378
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199792
N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107808615
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 82703873
5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 65199858
N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 103799721
N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide
CID 63194298
N-(2-bromo-4-methylphenyl)-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 47425875
N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199836
N-(4-amino-2-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818644

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 65199281) is N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(N)cc2Br)cs1.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is PSNOMUWQVHKUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-6-14-10(5-17-6)11(16)15-9-3-2-7(13)4-8(9)12/h2-5H,13H2,1H3,(H,15,16).
What are the key properties of N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65199281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).