1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide

C20H24FN3OS — CID 77087139

IUPAC1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCC1(C)CC1(C(=O)NCc1csc(N2CCCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3OS/c1-19(2)13-20(19,14-5-7-15(21)8-6-14)17(25)22-11-16-12-26-18(23-16)24-9-3-4-10-24/h5-8,12H,3-4,9-11,13H2,1-2H3,(H,22,25)
InChIKeyHJYPAQWBUBHFFG-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.87
Rot. Bonds5

About 1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 77087139) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID77087139
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC Name1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCC1(C)CC1(C(=O)NCc1csc(N2CCCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3OS/c1-19(2)13-20(19,14-5-7-15(21)8-6-14)17(25)22-11-16-12-26-18(23-16)24-9-3-4-10-24/h5-8,12H,3-4,9-11,13H2,1-2H3,(H,22,25)
InChIKeyHJYPAQWBUBHFFG-UHFFFAOYSA-N
XLogP3.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide (CID 77087139) is 1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide is CC1(C)CC1(C(=O)NCc1csc(N2CCCC2)n1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is HJYPAQWBUBHFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c1-19(2)13-20(19,14-5-7-15(21)8-6-14)17(25)22-11-16-12-26-18(23-16)24-9-3-4-10-24/h5-8,12H,3-4,9-11,13H2,1-2H3,(H,22,25).
What are the key properties of 1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 77087139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).