5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide

C15H19BrN4OS — CID 166224688

IUPAC5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide
SMILESCCCc1nc(C)c(NC(=O)c2cc(Br)cnc2N(C)C)s1
InChIInChI=1S/C15H19BrN4OS/c1-5-6-12-18-9(2)15(22-12)19-14(21)11-7-10(16)8-17-13(11)20(3)4/h7-8H,5-6H2,1-4H3,(H,19,21)
InChIKeyJLOFPCMFIFOXSQ-UHFFFAOYSA-N
MW383.32 g/mol
LogP3.88
Rot. Bonds5

About 5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide

5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide (PubChem CID 166224688) has the molecular formula C15H19BrN4OS and a molecular weight of 383.32 g/mol. Its IUPAC name is 5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide
PubChem CID166224688
Molecular FormulaC15H19BrN4OS
Molecular Weight383.32 g/mol
Exact Mass382.05
IUPAC Name5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide
SMILESCCCc1nc(C)c(NC(=O)c2cc(Br)cnc2N(C)C)s1
InChIInChI=1S/C15H19BrN4OS/c1-5-6-12-18-9(2)15(22-12)19-14(21)11-7-10(16)8-17-13(11)20(3)4/h7-8H,5-6H2,1-4H3,(H,19,21)
InChIKeyJLOFPCMFIFOXSQ-UHFFFAOYSA-N
XLogP3.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide (CID 166224688) is 5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide is CCCc1nc(C)c(NC(=O)c2cc(Br)cnc2N(C)C)s1.
What is the InChIKey of 5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide?
The InChIKey is JLOFPCMFIFOXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4OS/c1-5-6-12-18-9(2)15(22-12)19-14(21)11-7-10(16)8-17-13(11)20(3)4/h7-8H,5-6H2,1-4H3,(H,19,21).
What are the key properties of 5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide?
5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide has a molecular weight of 383.32 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(dimethylamino)-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 166224688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).