3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide

C18H25FN2O2S — CID 42745397

IUPAC3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide
SMILESCCCNC(=O)C1CSC(CC(C)C)N1C(=O)c1ccccc1F
InChIInChI=1S/C18H25FN2O2S/c1-4-9-20-17(22)15-11-24-16(10-12(2)3)21(15)18(23)13-7-5-6-8-14(13)19/h5-8,12,15-16H,4,9-11H2,1-3H3,(H,20,22)
InChIKeyVJYOQIRNPOUGQJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.28
Rot. Bonds6

About 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide

3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide (PubChem CID 42745397) has the molecular formula C18H25FN2O2S and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide
PubChem CID42745397
Molecular FormulaC18H25FN2O2S
Molecular Weight352.48 g/mol
Exact Mass352.16
IUPAC Name3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide
SMILESCCCNC(=O)C1CSC(CC(C)C)N1C(=O)c1ccccc1F
InChIInChI=1S/C18H25FN2O2S/c1-4-9-20-17(22)15-11-24-16(10-12(2)3)21(15)18(23)13-7-5-6-8-14(13)19/h5-8,12,15-16H,4,9-11H2,1-3H3,(H,20,22)
InChIKeyVJYOQIRNPOUGQJ-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide
CID 42745398
3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 42745406
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(2-fluorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 3670213
3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748221
N-butyl-3-(4-chlorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748224
3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745364
N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42744888
(2S,4S)-3-(2-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 809620
3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745361
(2R,4R)-3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 809608
3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 3951099
3-(2-methylbenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide
CID 42745380

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide (CID 42745397) is 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide is CCCNC(=O)C1CSC(CC(C)C)N1C(=O)c1ccccc1F.
What is the InChIKey of 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is VJYOQIRNPOUGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2S/c1-4-9-20-17(22)15-11-24-16(10-12(2)3)21(15)18(23)13-7-5-6-8-14(13)19/h5-8,12,15-16H,4,9-11H2,1-3H3,(H,20,22).
What are the key properties of 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide?
3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).