1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide

C16H17FN2OS — CID 50948729

IUPAC1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(c1nccs1)N(C)C(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C16H17FN2OS/c1-11(14-18-9-10-21-14)19(2)15(20)16(7-8-16)12-5-3-4-6-13(12)17/h3-6,9-11H,7-8H2,1-2H3
InChIKeyPZASPYCMYVKBPY-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.53
Rot. Bonds4

About 1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 50948729) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID50948729
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(c1nccs1)N(C)C(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C16H17FN2OS/c1-11(14-18-9-10-21-14)19(2)15(20)16(7-8-16)12-5-3-4-6-13(12)17/h3-6,9-11H,7-8H2,1-2H3
InChIKeyPZASPYCMYVKBPY-UHFFFAOYSA-N
XLogP3.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide (CID 50948729) is 1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide is CC(c1nccs1)N(C)C(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is PZASPYCMYVKBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-11(14-18-9-10-21-14)19(2)15(20)16(7-8-16)12-5-3-4-6-13(12)17/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 50948729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).