3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide

C19H27FN2O2S — CID 42743930

IUPAC3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CSC(C(C)C)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H27FN2O2S/c1-12(2)9-10-21-17(23)16-11-25-19(13(3)4)22(16)18(24)14-5-7-15(20)8-6-14/h5-8,12-13,16,19H,9-11H2,1-4H3,(H,21,23)
InChIKeyDHFZYNOZVQAQFQ-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.53
Rot. Bonds6

About 3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide

3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 42743930) has the molecular formula C19H27FN2O2S and a molecular weight of 366.50 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
PubChem CID42743930
Molecular FormulaC19H27FN2O2S
Molecular Weight366.50 g/mol
Exact Mass366.18
IUPAC Name3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CSC(C(C)C)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H27FN2O2S/c1-12(2)9-10-21-17(23)16-11-25-19(13(3)4)22(16)18(24)14-5-7-15(20)8-6-14/h5-8,12-13,16,19H,9-11H2,1-4H3,(H,21,23)
InChIKeyDHFZYNOZVQAQFQ-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745364
3-benzoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42748298
2-cyclohexyl-3-(4-methylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744153
(2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 1195491
2-(3,4-dichlorophenyl)-3-(4-methylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744011
3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745361
(2S,4R)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7419346
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide
CID 42745149
(2S,4R)-2-(4-fluorophenyl)-N-hexyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7288637
N-[(4-fluorophenyl)methyl]-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748212
3-(2-methylbenzoyl)-N-(2-methylpropyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 42744803
1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 50829892

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide (CID 42743930) is 3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide is CC(C)CCNC(=O)C1CSC(C(C)C)N1C(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is DHFZYNOZVQAQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2S/c1-12(2)9-10-21-17(23)16-11-25-19(13(3)4)22(16)18(24)14-5-7-15(20)8-6-14/h5-8,12-13,16,19H,9-11H2,1-4H3,(H,21,23).
What are the key properties of 3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide?
3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 366.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42743930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).