1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide

C15H17N3O2S2 — CID 91945310

IUPAC1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccsc1C=C1SC(N2CCC(C(N)=O)CC2)=NC1=O
InChIInChI=1S/C15H17N3O2S2/c1-9-4-7-21-11(9)8-12-14(20)17-15(22-12)18-5-2-10(3-6-18)13(16)19/h4,7-8,10H,2-3,5-6H2,1H3,(H2,16,19)
InChIKeyXSOVKOGCXMQPHF-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.22
Rot. Bonds2

About 1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 91945310) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID91945310
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC Name1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccsc1C=C1SC(N2CCC(C(N)=O)CC2)=NC1=O
InChIInChI=1S/C15H17N3O2S2/c1-9-4-7-21-11(9)8-12-14(20)17-15(22-12)18-5-2-10(3-6-18)13(16)19/h4,7-8,10H,2-3,5-6H2,1H3,(H2,16,19)
InChIKeyXSOVKOGCXMQPHF-UHFFFAOYSA-N
XLogP2.22
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-2-(3,5-dimethylpiperidin-1-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one
CID 73254045
(5Z)-2-(4-benzylpiperazin-1-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4-one
CID 17045364
1-[(5Z)-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 34309939
1-[(5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 1332553
1-[5-[[3-(4-ethoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 3331981
5-[(4-methylphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
CID 2878422
1-[5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 4315609
1-[(5E)-5-[[4-[4-cyano-2-(trifluoromethyl)phenoxy]-3-methoxyphenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 69041527
ethyl 1-[5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate
CID 4893261
(5Z)-5-[(2-hydroxy-3-methylphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 70951027
(5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 8815074
1-[5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 76756347

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 91945310) is 1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1ccsc1C=C1SC(N2CCC(C(N)=O)CC2)=NC1=O.
What is the InChIKey of 1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is XSOVKOGCXMQPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c1-9-4-7-21-11(9)8-12-14(20)17-15(22-12)18-5-2-10(3-6-18)13(16)19/h4,7-8,10H,2-3,5-6H2,1H3,(H2,16,19).
What are the key properties of 1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91945310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).