N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide

C15H15FN4OS — CID 30461647

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCCC(=O)N(CCn1cccn1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C15H15FN4OS/c1-2-14(21)20(9-8-19-7-3-6-17-19)15-18-12-5-4-11(16)10-13(12)22-15/h3-7,10H,2,8-9H2,1H3
InChIKeyRJBFDZGCCIHYIB-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.08
Rot. Bonds5

About N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide (PubChem CID 30461647) has the molecular formula C15H15FN4OS and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide
PubChem CID30461647
Molecular FormulaC15H15FN4OS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCCC(=O)N(CCn1cccn1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C15H15FN4OS/c1-2-14(21)20(9-8-19-7-3-6-17-19)15-18-12-5-4-11(16)10-13(12)22-15/h3-7,10H,2,8-9H2,1H3
InChIKeyRJBFDZGCCIHYIB-UHFFFAOYSA-N
XLogP3.08
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide (CID 30461647) is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide is CCC(=O)N(CCn1cccn1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide?
The InChIKey is RJBFDZGCCIHYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4OS/c1-2-14(21)20(9-8-19-7-3-6-17-19)15-18-12-5-4-11(16)10-13(12)22-15/h3-7,10H,2,8-9H2,1H3.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide has a molecular weight of 318.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide is sourced from PubChem (CID 30461647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).