2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide

C10H6BrCl2N3OS — CID 55116387

IUPAC2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)cs1
InChIInChI=1S/C10H6BrCl2N3OS/c11-4-1-5(12)8(6(13)2-4)16-9(17)7-3-18-10(14)15-7/h1-3H,(H2,14,15)(H,16,17)
InChIKeyJWKNVUMOZZCEMR-UHFFFAOYSA-N
MW367.06 g/mol
LogP4.05
Rot. Bonds2

About 2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide

2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 55116387) has the molecular formula C10H6BrCl2N3OS and a molecular weight of 367.06 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID55116387
Molecular FormulaC10H6BrCl2N3OS
Molecular Weight367.06 g/mol
Exact Mass364.88
IUPAC Name2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)cs1
InChIInChI=1S/C10H6BrCl2N3OS/c11-4-1-5(12)8(6(13)2-4)16-9(17)7-3-18-10(14)15-7/h1-3H,(H2,14,15)(H,16,17)
InChIKeyJWKNVUMOZZCEMR-UHFFFAOYSA-N
XLogP4.05
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.06
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide
CID 62786642
2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 55116293
2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 114209117
2-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 66377996
2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide
CID 81259724
2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 113445874
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-bromobenzoic acid
CID 55176539
2-amino-N-(4-bromo-2,6-dichlorophenyl)-6-chloropyridine-4-carboxamide
CID 62155953
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62787524
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199792
2-amino-N-(2,6-diethylphenyl)-1,3-thiazole-4-carboxamide
CID 55115870

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide (CID 55116387) is 2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)cs1.
What is the InChIKey of 2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JWKNVUMOZZCEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3OS/c11-4-1-5(12)8(6(13)2-4)16-9(17)7-3-18-10(14)15-7/h1-3H,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 367.06 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55116387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).