N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide

C17H13BrN4O2S — CID 84550840

IUPACN-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Cc1ccccc1)Nc1nc(C(=O)Nc2ccc(Br)cn2)cs1
InChIInChI=1S/C17H13BrN4O2S/c18-12-6-7-14(19-9-12)21-16(24)13-10-25-17(20-13)22-15(23)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,21,24)(H,20,22,23)
InChIKeyJEEQQIVVSWUZDT-UHFFFAOYSA-N
MW417.29 g/mol
LogP3.73
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide

N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 84550840) has the molecular formula C17H13BrN4O2S and a molecular weight of 417.29 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID84550840
Molecular FormulaC17H13BrN4O2S
Molecular Weight417.29 g/mol
Exact Mass415.99
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Cc1ccccc1)Nc1nc(C(=O)Nc2ccc(Br)cn2)cs1
InChIInChI=1S/C17H13BrN4O2S/c18-12-6-7-14(19-9-12)21-16(24)13-10-25-17(20-13)22-15(23)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,21,24)(H,20,22,23)
InChIKeyJEEQQIVVSWUZDT-UHFFFAOYSA-N
XLogP3.73
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550682
N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84551045
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 84550859
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550709
N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550613
N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 86847511
N-[(5-bromo-2-pyridinyl)carbamothioyl]-2-phenylacetamide
CID 1346272

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide (CID 84550840) is N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide is O=C(Cc1ccccc1)Nc1nc(C(=O)Nc2ccc(Br)cn2)cs1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is JEEQQIVVSWUZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2S/c18-12-6-7-14(19-9-12)21-16(24)13-10-25-17(20-13)22-15(23)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,21,24)(H,20,22,23).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 417.29 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84550840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).