2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide

C10H6Br2ClN3OS — CID 114209117

IUPAC2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2c(Br)cc(Cl)cc2Br)cs1
InChIInChI=1S/C10H6Br2ClN3OS/c11-5-1-4(13)2-6(12)8(5)16-9(17)7-3-18-10(14)15-7/h1-3H,(H2,14,15)(H,16,17)
InChIKeyJKSPRDUSXGJSJB-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.16
Rot. Bonds2

About 2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide

2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 114209117) has the molecular formula C10H6Br2ClN3OS and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID114209117
Molecular FormulaC10H6Br2ClN3OS
Molecular Weight411.51 g/mol
Exact Mass408.83
IUPAC Name2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2c(Br)cc(Cl)cc2Br)cs1
InChIInChI=1S/C10H6Br2ClN3OS/c11-5-1-4(13)2-6(12)8(5)16-9(17)7-3-18-10(14)15-7/h1-3H,(H2,14,15)(H,16,17)
InChIKeyJKSPRDUSXGJSJB-UHFFFAOYSA-N
XLogP4.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide (CID 114209117) is 2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2c(Br)cc(Cl)cc2Br)cs1.
What is the InChIKey of 2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JKSPRDUSXGJSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2ClN3OS/c11-5-1-4(13)2-6(12)8(5)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-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-dibromo-4-chlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 114209117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).