N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide

C14H22N2O2S — CID 60609338

IUPACN-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide
SMILESC/C=C/C=C/C(=O)N1CSCC1C(=O)NC(C)CC
InChIInChI=1S/C14H22N2O2S/c1-4-6-7-8-13(17)16-10-19-9-12(16)14(18)15-11(3)5-2/h4,6-8,11-12H,5,9-10H2,1-3H3,(H,15,18)/b6-4+,8-7+
InChIKeyQROZOJYGWHZOEV-GFGVWQOPSA-N
MW282.41 g/mol
LogP1.93
Rot. Bonds5

About N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide

N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 60609338) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID60609338
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide
SMILESC/C=C/C=C/C(=O)N1CSCC1C(=O)NC(C)CC
InChIInChI=1S/C14H22N2O2S/c1-4-6-7-8-13(17)16-10-19-9-12(16)14(18)15-11(3)5-2/h4,6-8,11-12H,5,9-10H2,1-3H3,(H,15,18)/b6-4+,8-7+
InChIKeyQROZOJYGWHZOEV-GFGVWQOPSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 60609283
N-butan-2-yl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 60608939
(4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide
CID 95145718
N-butan-2-yl-3-[3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 76878794
N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745328
(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 93041089
N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 60609336
(4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 97315914
(4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide
CID 99599466
N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120508830
N-butan-2-ylhexa-2,4-dienamide
CID 76545623
2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
CID 119225257

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide (CID 60609338) is N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide is C/C=C/C=C/C(=O)N1CSCC1C(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is QROZOJYGWHZOEV-GFGVWQOPSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-6-7-8-13(17)16-10-19-9-12(16)14(18)15-11(3)5-2/h4,6-8,11-12H,5,9-10H2,1-3H3,(H,15,18)/b6-4+,8-7+.
What are the key properties of N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide?
N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60609338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).