N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide

C17H19N3O3S2 — CID 72685939

IUPACN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC=C(C)C(=O)N1CSCC1C(=O)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C17H19N3O3S2/c1-3-5-11(2)16(22)20-10-24-9-13(20)15(21)19-17-18-12(8-25-17)14-6-4-7-23-14/h4-8,13H,3,9-10H2,1-2H3,(H,18,19,21)
InChIKeyJJWLUZWVWUKJFT-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.60
Rot. Bonds5

About N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 72685939) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID72685939
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC=C(C)C(=O)N1CSCC1C(=O)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C17H19N3O3S2/c1-3-5-11(2)16(22)20-10-24-9-13(20)15(21)19-17-18-12(8-25-17)14-6-4-7-23-14/h4-8,13H,3,9-10H2,1-2H3,(H,18,19,21)
InChIKeyJJWLUZWVWUKJFT-UHFFFAOYSA-N
XLogP3.60
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 95293035
N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 72685916
N-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 132969961
ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 3068161
3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 72685920
(4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 52716359
(1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 51949489
(4S)-3-[(E)-2-methylpent-2-enoyl]-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 97464344
(2S,4S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 87496204
1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 55722578
(2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124565914
(2R,3R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124565913

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide (CID 72685939) is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide is CCC=C(C)C(=O)N1CSCC1C(=O)Nc1nc(-c2ccco2)cs1.
What is the InChIKey of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is JJWLUZWVWUKJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-3-5-11(2)16(22)20-10-24-9-13(20)15(21)19-17-18-12(8-25-17)14-6-4-7-23-14/h4-8,13H,3,9-10H2,1-2H3,(H,18,19,21).
What are the key properties of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide?
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 72685939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).