2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide

C19H24N2O3S2 — CID 8716235

IUPAC2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)/c(=C\c2ccsc2)s/c1=C\C(=O)C(C)(C)C
InChIInChI=1S/C19H24N2O3S2/c1-5-7-20-16(23)11-21-17(10-15(22)19(2,3)4)26-14(18(21)24)9-13-6-8-25-12-13/h6,8-10,12H,5,7,11H2,1-4H3,(H,20,23)/b14-9+,17-10-
InChIKeyHQURVDNRMXHNIK-CCJRVLTRSA-N
MW392.55 g/mol
LogP1.72
Rot. Bonds6

About 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide

2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide (PubChem CID 8716235) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide
PubChem CID8716235
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)/c(=C\c2ccsc2)s/c1=C\C(=O)C(C)(C)C
InChIInChI=1S/C19H24N2O3S2/c1-5-7-20-16(23)11-21-17(10-15(22)19(2,3)4)26-14(18(21)24)9-13-6-8-25-12-13/h6,8-10,12H,5,7,11H2,1-4H3,(H,20,23)/b14-9+,17-10-
InChIKeyHQURVDNRMXHNIK-CCJRVLTRSA-N
XLogP1.72
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide?
The IUPAC name of 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide (CID 8716235) is 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide.
What is the SMILES notation for 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide?
The canonical SMILES for 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide is CCCNC(=O)Cn1c(=O)/c(=C\c2ccsc2)s/c1=C\C(=O)C(C)(C)C.
What is the InChIKey of 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide?
The InChIKey is HQURVDNRMXHNIK-CCJRVLTRSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-5-7-20-16(23)11-21-17(10-15(22)19(2,3)4)26-14(18(21)24)9-13-6-8-25-12-13/h6,8-10,12H,5,7,11H2,1-4H3,(H,20,23)/b14-9+,17-10-.
What are the key properties of 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide?
2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide has a molecular weight of 392.55 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide is sourced from PubChem (CID 8716235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).