2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide

C10H9BrN4OS — CID 114194037

IUPAC2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCc2cncs2)c(Br)cn1
InChIInChI=1S/C10H9BrN4OS/c11-8-4-14-9(12)1-7(8)10(16)15-3-6-2-13-5-17-6/h1-2,4-5H,3H2,(H2,12,14)(H,15,16)
InChIKeyQKDYOUXDDBHSQS-UHFFFAOYSA-N
MW313.18 g/mol
LogP1.81
Rot. Bonds3

About 2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide

2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide (PubChem CID 114194037) has the molecular formula C10H9BrN4OS and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
PubChem CID114194037
Molecular FormulaC10H9BrN4OS
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC Name2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCc2cncs2)c(Br)cn1
InChIInChI=1S/C10H9BrN4OS/c11-8-4-14-9(12)1-7(8)10(16)15-3-6-2-13-5-17-6/h1-2,4-5H,3H2,(H2,12,14)(H,15,16)
InChIKeyQKDYOUXDDBHSQS-UHFFFAOYSA-N
XLogP1.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579091
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 114194058
2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide
CID 104579127
2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide
CID 114194094
4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 113429011
1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide
CID 106772963
2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114193980
3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide
CID 104579431
2-amino-5-bromo-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
CID 114193960
3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104583444
5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide
CID 104579028
5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579077

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide (CID 114194037) is 2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide is Nc1cc(C(=O)NCc2cncs2)c(Br)cn1.
What is the InChIKey of 2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide?
The InChIKey is QKDYOUXDDBHSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4OS/c11-8-4-14-9(12)1-7(8)10(16)15-3-6-2-13-5-17-6/h1-2,4-5H,3H2,(H2,12,14)(H,15,16).
What are the key properties of 2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide?
2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide has a molecular weight of 313.18 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114194037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).