N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C19H24FN3OS — CID 51128940

IUPACN-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1ccc(F)cc1)c1nc(CN2CCCC2C(C)C)cs1
InChIInChI=1S/C19H24FN3OS/c1-13(2)18-5-4-10-22(18)11-16-12-25-19(21-16)23(14(3)24)17-8-6-15(20)7-9-17/h6-9,12-13,18H,4-5,10-11H2,1-3H3
InChIKeyIYSXLGPEBSEGPZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.59
Rot. Bonds5

About N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 51128940) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID51128940
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC NameN-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1ccc(F)cc1)c1nc(CN2CCCC2C(C)C)cs1
InChIInChI=1S/C19H24FN3OS/c1-13(2)18-5-4-10-22(18)11-16-12-25-19(21-16)23(14(3)24)17-8-6-15(20)7-9-17/h6-9,12-13,18H,4-5,10-11H2,1-3H3
InChIKeyIYSXLGPEBSEGPZ-UHFFFAOYSA-N
XLogP4.59
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 51128940) is N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1ccc(F)cc1)c1nc(CN2CCCC2C(C)C)cs1.
What is the InChIKey of N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is IYSXLGPEBSEGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS/c1-13(2)18-5-4-10-22(18)11-16-12-25-19(21-16)23(14(3)24)17-8-6-15(20)7-9-17/h6-9,12-13,18H,4-5,10-11H2,1-3H3.
What are the key properties of N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 51128940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).