6-methyl-4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-2-one

C14H15N3O3S — CID 154760113

IUPAC6-methyl-4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-2-one
SMILESCc1nc(-c2cc(C(=O)N3CC(=O)NC(C)C3)co2)cs1
InChIInChI=1S/C14H15N3O3S/c1-8-4-17(5-13(18)15-8)14(19)10-3-12(20-6-10)11-7-21-9(2)16-11/h3,6-8H,4-5H2,1-2H3,(H,15,18)
InChIKeyNXWAMPXKHKPGIS-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.67
Rot. Bonds2

About 6-methyl-4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-2-one

6-methyl-4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-2-one (PubChem CID 154760113) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 6-methyl-4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name6-methyl-4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-2-one
PubChem CID154760113
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name6-methyl-4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-2-one
SMILESCc1nc(-c2cc(C(=O)N3CC(=O)NC(C)C3)co2)cs1
InChIInChI=1S/C14H15N3O3S/c1-8-4-17(5-13(18)15-8)14(19)10-3-12(20-6-10)11-7-21-9(2)16-11/h3,6-8H,4-5H2,1-2H3,(H,15,18)
InChIKeyNXWAMPXKHKPGIS-UHFFFAOYSA-N
XLogP1.67
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 127047741
N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10826541
2-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
CID 17509712
2,5-difluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
CID 17543620
(2-Fluorophenyl)(4-((4-(furan-2-yl)thiazol-2-yl)methyl)piperazin-1-yl)methanone
CID 30860537
2-(4-Fluorophenyl)-1-(4-((4-(furan-2-yl)thiazol-2-yl)methyl)piperazin-1-yl)ethanone
CID 30860549
N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 36956866
(4-Ethyl-5-methylthiophen-2-yl)-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 37782327
2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 38416914
2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 39975237

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-2-one?
The IUPAC name of 6-methyl-4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-2-one (CID 154760113) is 6-methyl-4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 6-methyl-4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-2-one?
The canonical SMILES for 6-methyl-4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-2-one is Cc1nc(-c2cc(C(=O)N3CC(=O)NC(C)C3)co2)cs1.
What is the InChIKey of 6-methyl-4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-2-one?
The InChIKey is NXWAMPXKHKPGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-4-17(5-13(18)15-8)14(19)10-3-12(20-6-10)11-7-21-9(2)16-11/h3,6-8H,4-5H2,1-2H3,(H,15,18).
What are the key properties of 6-methyl-4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-2-one?
6-methyl-4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-2-one has a molecular weight of 305.36 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 154760113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).