N-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide

C22H20FN5OS — CID 45279917

IUPACN-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide
SMILESCc1cccc(F)c1C(=O)Nc1ccc(-c2nc(-c3cnn(C)c3C)sc2C)cn1
InChIInChI=1S/C22H20FN5OS/c1-12-6-5-7-17(23)19(12)21(29)26-18-9-8-15(10-24-18)20-14(3)30-22(27-20)16-11-25-28(4)13(16)2/h5-11H,1-4H3,(H,24,26,29)
InChIKeyBHMBPAQYNYSHSK-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.92
Rot. Bonds4

About N-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide

N-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide (PubChem CID 45279917) has the molecular formula C22H20FN5OS and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide.

Molecular Properties

Compound NameN-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide
PubChem CID45279917
Molecular FormulaC22H20FN5OS
Molecular Weight421.50 g/mol
Exact Mass421.14
IUPAC NameN-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide
SMILESCc1cccc(F)c1C(=O)Nc1ccc(-c2nc(-c3cnn(C)c3C)sc2C)cn1
InChIInChI=1S/C22H20FN5OS/c1-12-6-5-7-17(23)19(12)21(29)26-18-9-8-15(10-24-18)20-14(3)30-22(27-20)16-11-25-28(4)13(16)2/h5-11H,1-4H3,(H,24,26,29)
InChIKeyBHMBPAQYNYSHSK-UHFFFAOYSA-N
XLogP4.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide?
The IUPAC name of N-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide (CID 45279917) is N-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide.
What is the SMILES notation for N-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide?
The canonical SMILES for N-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide is Cc1cccc(F)c1C(=O)Nc1ccc(-c2nc(-c3cnn(C)c3C)sc2C)cn1.
What is the InChIKey of N-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide?
The InChIKey is BHMBPAQYNYSHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5OS/c1-12-6-5-7-17(23)19(12)21(29)26-18-9-8-15(10-24-18)20-14(3)30-22(27-20)16-11-25-28(4)13(16)2/h5-11H,1-4H3,(H,24,26,29).
What are the key properties of N-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide?
N-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide has a molecular weight of 421.50 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1,5-dimethylpyrazol-4-yl)-5-methyl-1,3-thiazol-4-yl]-2-pyridinyl]-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 45279917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).