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

C11H10BrN3OS — CID 47044611

IUPAC5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nc(CNC(=O)c2cncc(Br)c2)cs1
InChIInChI=1S/C11H10BrN3OS/c1-7-15-10(6-17-7)5-14-11(16)8-2-9(12)4-13-3-8/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyNBPZGAWPWQRXHB-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.54
Rot. Bonds3

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

5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 47044611) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID47044611
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC Name5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nc(CNC(=O)c2cncc(Br)c2)cs1
InChIInChI=1S/C11H10BrN3OS/c1-7-15-10(6-17-7)5-14-11(16)8-2-9(12)4-13-3-8/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyNBPZGAWPWQRXHB-UHFFFAOYSA-N
XLogP2.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 24632147
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47290675
6-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 66462162
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62174433
4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448578
3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47290705
2-amino-4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 79723371
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257333
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47230453
6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 114035836
5-bromo-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide
CID 71802068

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (CID 47044611) is 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is Cc1nc(CNC(=O)c2cncc(Br)c2)cs1.
What is the InChIKey of 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is NBPZGAWPWQRXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-7-15-10(6-17-7)5-14-11(16)8-2-9(12)4-13-3-8/h2-4,6H,5H2,1H3,(H,14,16).
What are the key properties of 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 47044611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).