N-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide

C12H20N2O3S — CID 72685878

IUPACN-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC=C(C)C(=O)N1CSCC1C(=O)NOCC
InChIInChI=1S/C12H20N2O3S/c1-4-6-9(3)12(16)14-8-18-7-10(14)11(15)13-17-5-2/h6,10H,4-5,7-8H2,1-3H3,(H,13,15)
InChIKeyNNHHRXMSVGGUAV-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.31
Rot. Bonds5

About N-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide

N-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 72685878) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID72685878
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC=C(C)C(=O)N1CSCC1C(=O)NOCC
InChIInChI=1S/C12H20N2O3S/c1-4-6-9(3)12(16)14-8-18-7-10(14)11(15)13-17-5-2/h6,10H,4-5,7-8H2,1-3H3,(H,13,15)
InChIKeyNNHHRXMSVGGUAV-UHFFFAOYSA-N
XLogP1.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide
CID 132967895
(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 95383054
N-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 132969961
(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 95293035
(4S)-3-[(E)-2-methylpent-2-enoyl]-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 97464344
3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 72685920
N-[2-methyl-2-(3-methylphenyl)propyl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 72685910
N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 72685916
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 72685939
2-methyl-1-[4-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pent-2-en-1-one
CID 126799309
methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate
CID 20624262
ethyl 2-[4-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]-2-oxoacetate
CID 146088892

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide (CID 72685878) is N-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide is CCC=C(C)C(=O)N1CSCC1C(=O)NOCC.
What is the InChIKey of N-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is NNHHRXMSVGGUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-6-9(3)12(16)14-8-18-7-10(14)11(15)13-17-5-2/h6,10H,4-5,7-8H2,1-3H3,(H,13,15).
What are the key properties of N-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide?
N-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 72685878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).