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

C16H16BrN5OS — CID 71802068

IUPAC5-bromo-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3cncc(Br)c3)cs2)n1
InChIInChI=1S/C16H16BrN5OS/c1-10-5-11(2)22(21-10)16-20-14(9-24-16)3-4-19-15(23)12-6-13(17)8-18-7-12/h5-9H,3-4H2,1-2H3,(H,19,23)
InChIKeyMFBVZLFOFAFINQ-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.08
Rot. Bonds5

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

5-bromo-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide (PubChem CID 71802068) has the molecular formula C16H16BrN5OS and a molecular weight of 406.31 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide
PubChem CID71802068
Molecular FormulaC16H16BrN5OS
Molecular Weight406.31 g/mol
Exact Mass405.03
IUPAC Name5-bromo-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3cncc(Br)c3)cs2)n1
InChIInChI=1S/C16H16BrN5OS/c1-10-5-11(2)22(21-10)16-20-14(9-24-16)3-4-19-15(23)12-6-13(17)8-18-7-12/h5-9H,3-4H2,1-2H3,(H,19,23)
InChIKeyMFBVZLFOFAFINQ-UHFFFAOYSA-N
XLogP3.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 90570810
4-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 90570959
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-4-phenylbenzamide
CID 90570882
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide
CID 71802075
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
CID 90570879
ethyl 4-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethylamino]-4-oxobutanoate
CID 71802072
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 90570906
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 71802085
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 90570902
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90570945
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47044611
2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-1,3-thiazole
CID 63810056

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide (CID 71802068) is 5-bromo-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide is Cc1cc(C)n(-c2nc(CCNC(=O)c3cncc(Br)c3)cs2)n1.
What is the InChIKey of 5-bromo-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is MFBVZLFOFAFINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5OS/c1-10-5-11(2)22(21-10)16-20-14(9-24-16)3-4-19-15(23)12-6-13(17)8-18-7-12/h5-9H,3-4H2,1-2H3,(H,19,23).
What are the key properties of 5-bromo-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide?
5-bromo-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 406.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71802068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).