(4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide

C19H23FN4O2S — CID 97315655

IUPAC(4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C19H23FN4O2S/c1-13(2)6-8-21-18(25)17-11-27-12-23(17)19(26)14-4-5-16(15(20)10-14)24-9-3-7-22-24/h3-5,7,9-10,13,17H,6,8,11-12H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyGGYNQHOZNXPITN-QGZVFWFLSA-N
MW390.48 g/mol
LogP2.69
Rot. Bonds6

About (4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide

(4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 97315655) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is (4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
PubChem CID97315655
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Name(4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C19H23FN4O2S/c1-13(2)6-8-21-18(25)17-11-27-12-23(17)19(26)14-4-5-16(15(20)10-14)24-9-3-7-22-24/h3-5,7,9-10,13,17H,6,8,11-12H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyGGYNQHOZNXPITN-QGZVFWFLSA-N
XLogP2.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-(3-methylbutyl)-3-[4-(pyrrolidin-1-ylmethyl)benzoyl]-1,3-thiazolidine-4-carboxamide
CID 97315657
(4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 95326882
(4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 95330657
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
(3-fluoro-4-pyrazol-1-ylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609775
3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 42743930
(3-fluoro-4-pyrazol-1-ylphenyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95322683
3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745364
(3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone
CID 122135997
3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119507547
(4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide
CID 97082517
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide (CID 97315655) is (4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide is CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of (4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is GGYNQHOZNXPITN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c1-13(2)6-8-21-18(25)17-11-27-12-23(17)19(26)14-4-5-16(15(20)10-14)24-9-3-7-22-24/h3-5,7,9-10,13,17H,6,8,11-12H2,1-2H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide?
(4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97315655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).