N,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide

C15H21N3O2S2 — CID 56788302

IUPACN,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CSCN1C(=O)/C=C/c1cnc(C)s1
InChIInChI=1S/C15H21N3O2S2/c1-4-17(5-2)15(20)13-9-21-10-18(13)14(19)7-6-12-8-16-11(3)22-12/h6-8,13H,4-5,9-10H2,1-3H3/b7-6+
InChIKeyRUARMZQIJILIMG-VOTSOKGWSA-N
MW339.49 g/mol
LogP2.23
Rot. Bonds5

About N,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide

N,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 56788302) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is N,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID56788302
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC NameN,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CSCN1C(=O)/C=C/c1cnc(C)s1
InChIInChI=1S/C15H21N3O2S2/c1-4-17(5-2)15(20)13-9-21-10-18(13)14(19)7-6-12-8-16-11(3)22-12/h6-8,13H,4-5,9-10H2,1-3H3/b7-6+
InChIKeyRUARMZQIJILIMG-VOTSOKGWSA-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 N,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide (CID 56788302) is N,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide is CCN(CC)C(=O)C1CSCN1C(=O)/C=C/c1cnc(C)s1.
What is the InChIKey of N,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is RUARMZQIJILIMG-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-4-17(5-2)15(20)13-9-21-10-18(13)14(19)7-6-12-8-16-11(3)22-12/h6-8,13H,4-5,9-10H2,1-3H3/b7-6+.
What are the key properties of N,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide?
N,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-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 N,N-diethyl-3-[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 56788302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).