(4R)-N,N-diethyl-3-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide

C15H21N3O2S2 — CID 97462560

IUPAC(4R)-N,N-diethyl-3-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CSCN1C(=O)/C=C\c1csc(C)n1
InChIInChI=1S/C15H21N3O2S2/c1-4-17(5-2)15(20)13-9-21-10-18(13)14(19)7-6-12-8-22-11(3)16-12/h6-8,13H,4-5,9-10H2,1-3H3/b7-6-/t13-/m0/s1
InChIKeyFRLWHRZQBQCFGH-FWWRYZNZSA-N
MW339.49 g/mol
LogP2.23
Rot. Bonds5

About (4R)-N,N-diethyl-3-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide

(4R)-N,N-diethyl-3-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 97462560) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is (4R)-N,N-diethyl-3-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N,N-diethyl-3-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID97462560
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name(4R)-N,N-diethyl-3-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CSCN1C(=O)/C=C\c1csc(C)n1
InChIInChI=1S/C15H21N3O2S2/c1-4-17(5-2)15(20)13-9-21-10-18(13)14(19)7-6-12-8-22-11(3)16-12/h6-8,13H,4-5,9-10H2,1-3H3/b7-6-/t13-/m0/s1
InChIKeyFRLWHRZQBQCFGH-FWWRYZNZSA-N
XLogP2.23
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-N,N-diethyl-3-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N,N-diethyl-3-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide (CID 97462560) is (4R)-N,N-diethyl-3-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N,N-diethyl-3-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N,N-diethyl-3-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide is CCN(CC)C(=O)[C@@H]1CSCN1C(=O)/C=C\c1csc(C)n1.
What is the InChIKey of (4R)-N,N-diethyl-3-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is FRLWHRZQBQCFGH-FWWRYZNZSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-4-17(5-2)15(20)13-9-21-10-18(13)14(19)7-6-12-8-22-11(3)16-12/h6-8,13H,4-5,9-10H2,1-3H3/b7-6-/t13-/m0/s1.
What are the key properties of (4R)-N,N-diethyl-3-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N,N-diethyl-3-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 339.49 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,N-diethyl-3-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97462560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).