N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C21H17FN4OS2 — CID 39172714

IUPACN-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(Cc2cnc(NC(=O)Cc3csc(-c4ccccn4)n3)s2)cc1F
InChIInChI=1S/C21H17FN4OS2/c1-13-5-6-14(9-17(13)22)8-16-11-24-21(29-16)26-19(27)10-15-12-28-20(25-15)18-4-2-3-7-23-18/h2-7,9,11-12H,8,10H2,1H3,(H,24,26,27)
InChIKeySFWQNXVZPJWCMA-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.88
Rot. Bonds6

About N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 39172714) has the molecular formula C21H17FN4OS2 and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID39172714
Molecular FormulaC21H17FN4OS2
Molecular Weight424.53 g/mol
Exact Mass424.08
IUPAC NameN-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(Cc2cnc(NC(=O)Cc3csc(-c4ccccn4)n3)s2)cc1F
InChIInChI=1S/C21H17FN4OS2/c1-13-5-6-14(9-17(13)22)8-16-11-24-21(29-16)26-19(27)10-15-12-28-20(25-15)18-4-2-3-7-23-18/h2-7,9,11-12H,8,10H2,1H3,(H,24,26,27)
InChIKeySFWQNXVZPJWCMA-UHFFFAOYSA-N
XLogP4.88
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 39172714) is N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is Cc1ccc(Cc2cnc(NC(=O)Cc3csc(-c4ccccn4)n3)s2)cc1F.
What is the InChIKey of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is SFWQNXVZPJWCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4OS2/c1-13-5-6-14(9-17(13)22)8-16-11-24-21(29-16)26-19(27)10-15-12-28-20(25-15)18-4-2-3-7-23-18/h2-7,9,11-12H,8,10H2,1H3,(H,24,26,27).
What are the key properties of N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 424.53 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 39172714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).