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

C21H31FN2O2S — CID 42745398

IUPAC3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1CSC(CC(C)C)N1C(=O)c1ccccc1F
InChIInChI=1S/C21H31FN2O2S/c1-5-11-23(12-6-2)21(26)18-14-27-19(13-15(3)4)24(18)20(25)16-9-7-8-10-17(16)22/h7-10,15,18-19H,5-6,11-14H2,1-4H3
InChIKeyYVKBOZHTOGBHIE-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.40
Rot. Bonds8

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

3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide (PubChem CID 42745398) has the molecular formula C21H31FN2O2S and a molecular weight of 394.56 g/mol. Its IUPAC name is 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide
PubChem CID42745398
Molecular FormulaC21H31FN2O2S
Molecular Weight394.56 g/mol
Exact Mass394.21
IUPAC Name3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1CSC(CC(C)C)N1C(=O)c1ccccc1F
InChIInChI=1S/C21H31FN2O2S/c1-5-11-23(12-6-2)21(26)18-14-27-19(13-15(3)4)24(18)20(25)16-9-7-8-10-17(16)22/h7-10,15,18-19H,5-6,11-14H2,1-4H3
InChIKeyYVKBOZHTOGBHIE-UHFFFAOYSA-N
XLogP4.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42745397
(2S,4S)-3-(2-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 809620
(2R,4R)-3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 809608
2-methylpropyl 3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42745545
butyl (2S,4R)-3-(2-fluorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 7362470
3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 3951099
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(2-fluorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 3670213
(2S,4S)-3-(2-fluorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 93033237
N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 3663771
2-ethyl-3-(2-methylsulfanylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791651
4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110816
3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748221

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide (CID 42745398) is 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide is CCCN(CCC)C(=O)C1CSC(CC(C)C)N1C(=O)c1ccccc1F.
What is the InChIKey of 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is YVKBOZHTOGBHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O2S/c1-5-11-23(12-6-2)21(26)18-14-27-19(13-15(3)4)24(18)20(25)16-9-7-8-10-17(16)22/h7-10,15,18-19H,5-6,11-14H2,1-4H3.
What are the key properties of 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide?
3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 394.56 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).