5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine

C17H18BrN5OS — CID 161049651

IUPAC5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine
SMILESCc1cc(N)ccn1.Cc1cc(NC(=O)c2nc(C)sc2Br)ccn1
InChIInChI=1S/C11H10BrN3OS.C6H8N2/c1-6-5-8(3-4-13-6)15-11(16)9-10(12)17-7(2)14-9;1-5-4-6(7)2-3-8-5/h3-5H,1-2H3,(H,13,15,16);2-4H,1H3,(H2,7,8)
InChIKeyUBYQQRORJOZSKE-UHFFFAOYSA-N
MW420.34 g/mol
LogP4.14
Rot. Bonds2

About 5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine

5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine (PubChem CID 161049651) has the molecular formula C17H18BrN5OS and a molecular weight of 420.34 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine
PubChem CID161049651
Molecular FormulaC17H18BrN5OS
Molecular Weight420.34 g/mol
Exact Mass419.04
IUPAC Name5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine
SMILESCc1cc(N)ccn1.Cc1cc(NC(=O)c2nc(C)sc2Br)ccn1
InChIInChI=1S/C11H10BrN3OS.C6H8N2/c1-6-5-8(3-4-13-6)15-11(16)9-10(12)17-7(2)14-9;1-5-4-6(7)2-3-8-5/h3-5H,1-2H3,(H,13,15,16);2-4H,1H3,(H2,7,8)
InChIKeyUBYQQRORJOZSKE-UHFFFAOYSA-N
XLogP4.14
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine?
The IUPAC name of 5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine (CID 161049651) is 5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine.
What is the SMILES notation for 5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine?
The canonical SMILES for 5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine is Cc1cc(N)ccn1.Cc1cc(NC(=O)c2nc(C)sc2Br)ccn1.
What is the InChIKey of 5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine?
The InChIKey is UBYQQRORJOZSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS.C6H8N2/c1-6-5-8(3-4-13-6)15-11(16)9-10(12)17-7(2)14-9;1-5-4-6(7)2-3-8-5/h3-5H,1-2H3,(H,13,15,16);2-4H,1H3,(H2,7,8).
What are the key properties of 5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine?
5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine has a molecular weight of 420.34 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide;2-methylpyridin-4-amine is sourced from PubChem (CID 161049651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).