4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide

C20H16FN5OS — CID 75467497

IUPAC4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4cccnc4)cs3)cc2F)n1
InChIInChI=1S/C20H16FN5OS/c1-12-8-13(2)26(25-12)18-6-5-14(9-16(18)21)19(27)24-20-23-17(11-28-20)15-4-3-7-22-10-15/h3-11H,1-2H3,(H,23,24,27)
InChIKeyNSFZXNJBERWBJB-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.40
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 75467497) has the molecular formula C20H16FN5OS and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
PubChem CID75467497
Molecular FormulaC20H16FN5OS
Molecular Weight393.45 g/mol
Exact Mass393.11
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4cccnc4)cs3)cc2F)n1
InChIInChI=1S/C20H16FN5OS/c1-12-8-13(2)26(25-12)18-6-5-14(9-16(18)21)19(27)24-20-23-17(11-28-20)15-4-3-7-22-10-15/h3-11H,1-2H3,(H,23,24,27)
InChIKeyNSFZXNJBERWBJB-UHFFFAOYSA-N
XLogP4.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18151055
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CID 59651304
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
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4-(diethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
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CID 17450848
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CID 90506101
4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 43070031
4-morpholin-4-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 162386909
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide
CID 146128414
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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (CID 75467497) is 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4cccnc4)cs3)cc2F)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is NSFZXNJBERWBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5OS/c1-12-8-13(2)26(25-12)18-6-5-14(9-16(18)21)19(27)24-20-23-17(11-28-20)15-4-3-7-22-10-15/h3-11H,1-2H3,(H,23,24,27).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 393.45 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 75467497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).