3-(2-fluorophenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide

C18H17FN4OS — CID 46965463

IUPAC3-(2-fluorophenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide
SMILESCn1ncc2c1CCc1sc(NC(=O)CCc3ccccc3F)nc1-2
InChIInChI=1S/C18H17FN4OS/c1-23-14-7-8-15-17(12(14)10-20-23)22-18(25-15)21-16(24)9-6-11-4-2-3-5-13(11)19/h2-5,10H,6-9H2,1H3,(H,21,22,24)
InChIKeyRPRBOWFYXWUGCO-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.35
Rot. Bonds4

About 3-(2-fluorophenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide

3-(2-fluorophenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide (PubChem CID 46965463) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide
PubChem CID46965463
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name3-(2-fluorophenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide
SMILESCn1ncc2c1CCc1sc(NC(=O)CCc3ccccc3F)nc1-2
InChIInChI=1S/C18H17FN4OS/c1-23-14-7-8-15-17(12(14)10-20-23)22-18(25-15)21-16(24)9-6-11-4-2-3-5-13(11)19/h2-5,10H,6-9H2,1H3,(H,21,22,24)
InChIKeyRPRBOWFYXWUGCO-UHFFFAOYSA-N
XLogP3.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide (CID 46965463) is 3-(2-fluorophenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide is Cn1ncc2c1CCc1sc(NC(=O)CCc3ccccc3F)nc1-2.
What is the InChIKey of 3-(2-fluorophenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide?
The InChIKey is RPRBOWFYXWUGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-23-14-7-8-15-17(12(14)10-20-23)22-18(25-15)21-16(24)9-6-11-4-2-3-5-13(11)19/h2-5,10H,6-9H2,1H3,(H,21,22,24).
What are the key properties of 3-(2-fluorophenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide?
3-(2-fluorophenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide has a molecular weight of 356.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide is sourced from PubChem (CID 46965463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).