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

C20H24FN3OS — CID 99933943

IUPAC(1R)-1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCC1(C)C[C@]1(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)/t20-/m1/s1
InChIKeyHJYPAQWBUBHFFG-HXUWFJFHSA-N
MW373.50 g/mol
LogP3.87
Rot. Bonds5

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

(1R)-1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 99933943) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID99933943
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC Name(1R)-1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCC1(C)C[C@]1(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)/t20-/m1/s1
InChIKeyHJYPAQWBUBHFFG-HXUWFJFHSA-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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Related Compounds

1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 77087139
(1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 97146952
(1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 97131114
1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea
CID 118791530
N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide
CID 24988580
3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 72868563
4-chloro-N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]benzamide;hydrochloride
CID 68805884
N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide
CID 59542790
N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 69168862
1-(4-fluorophenyl)-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclopropane-1-carboxamide
CID 77089502
N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161039
N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 59542747

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide (CID 99933943) is (1R)-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 (1R)-1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide is CC1(C)C[C@]1(C(=O)NCc1csc(N2CCCC2)n1)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is HJYPAQWBUBHFFG-HXUWFJFHSA-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)/t20-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide?
(1R)-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 (1R)-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 99933943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).