N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide

C15H22N2O2S2 — CID 42749131

IUPACN-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CSC(CC)N1C(=O)c1cccs1
InChIInChI=1S/C15H22N2O2S2/c1-4-10(3)16-14(18)11-9-21-13(5-2)17(11)15(19)12-7-6-8-20-12/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyDHNKJFIJNOWQCD-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.96
Rot. Bonds5

About N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide

N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42749131) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42749131
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC NameN-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CSC(CC)N1C(=O)c1cccs1
InChIInChI=1S/C15H22N2O2S2/c1-4-10(3)16-14(18)11-9-21-13(5-2)17(11)15(19)12-7-6-8-20-12/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyDHNKJFIJNOWQCD-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(furan-3-yl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42745033
2-ethyl-N-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42749142
N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 5029074
N-(4-methylphenyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 3881562
N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 3663771
methyl 2-pentyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 42729353
N-butan-2-yl-3-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745410
2-ethyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780542
N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 78768339
methyl 2-(2-phenylethyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 42727810
(2S)-N-[(2R)-octan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 96563528
(2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7361724

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 42749131) is N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide is CCC(C)NC(=O)C1CSC(CC)N1C(=O)c1cccs1.
What is the InChIKey of N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DHNKJFIJNOWQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-4-10(3)16-14(18)11-9-21-13(5-2)17(11)15(19)12-7-6-8-20-12/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 326.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42749131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).