2-[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide

C17H20FN3OS — CID 91829342

IUPAC2-[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CN(Cc1nccs1)C1CC1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H20FN3OS/c18-14-3-1-13(2-4-14)7-8-19-16(22)11-21(15-5-6-15)12-17-20-9-10-23-17/h1-4,9-10,15H,5-8,11-12H2,(H,19,22)
InChIKeyJHVMQMCRZFTSKL-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.61
Rot. Bonds8

About 2-[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 91829342) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID91829342
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name2-[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CN(Cc1nccs1)C1CC1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H20FN3OS/c18-14-3-1-13(2-4-14)7-8-19-16(22)11-21(15-5-6-15)12-17-20-9-10-23-17/h1-4,9-10,15H,5-8,11-12H2,(H,19,22)
InChIKeyJHVMQMCRZFTSKL-UHFFFAOYSA-N
XLogP2.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 91829342) is 2-[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(CN(Cc1nccs1)C1CC1)NCCc1ccc(F)cc1.
What is the InChIKey of 2-[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is JHVMQMCRZFTSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c18-14-3-1-13(2-4-14)7-8-19-16(22)11-21(15-5-6-15)12-17-20-9-10-23-17/h1-4,9-10,15H,5-8,11-12H2,(H,19,22).
What are the key properties of 2-[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 91829342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).