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

C17H19FN2OS — CID 97018981

IUPACN-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)cs1
InChIInChI=1S/C17H19FN2OS/c1-10(2)17-19-13(9-22-17)7-16(21)20-15-8-14(15)11-3-5-12(18)6-4-11/h3-6,9-10,14-15H,7-8H2,1-2H3,(H,20,21)/t14-,15-/m0/s1
InChIKeyAECJDWVJCAUESS-GJZGRUSLSA-N
MW318.42 g/mol
LogP3.62
Rot. Bonds5

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

N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 97018981) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID97018981
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC NameN-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)cs1
InChIInChI=1S/C17H19FN2OS/c1-10(2)17-19-13(9-22-17)7-16(21)20-15-8-14(15)11-3-5-12(18)6-4-11/h3-6,9-10,14-15H,7-8H2,1-2H3,(H,20,21)/t14-,15-/m0/s1
InChIKeyAECJDWVJCAUESS-GJZGRUSLSA-N
XLogP3.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (CID 97018981) is N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)c1nc(CC(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)cs1.
What is the InChIKey of N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is AECJDWVJCAUESS-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-10(2)17-19-13(9-22-17)7-16(21)20-15-8-14(15)11-3-5-12(18)6-4-11/h3-6,9-10,14-15H,7-8H2,1-2H3,(H,20,21)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 97018981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).