furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone

C14H15N3O3S — CID 71689981

IUPACfuran-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone
SMILESCc1nscc1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H15N3O3S/c1-10-11(9-21-15-10)13(18)16-4-6-17(7-5-16)14(19)12-3-2-8-20-12/h2-3,8-9H,4-7H2,1H3
InChIKeyMYPOKDJVUJBPSY-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.64
Rot. Bonds2

About furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone

furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 71689981) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone
PubChem CID71689981
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Namefuran-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone
SMILESCc1nscc1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H15N3O3S/c1-10-11(9-21-15-10)13(18)16-4-6-17(7-5-16)14(19)12-3-2-8-20-12/h2-3,8-9H,4-7H2,1H3
InChIKeyMYPOKDJVUJBPSY-UHFFFAOYSA-N
XLogP1.64
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 110854793
[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 844559
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701048
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 34469189
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 34470311
[4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 60656601
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110694360

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone (CID 71689981) is furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone is Cc1nscc1C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is MYPOKDJVUJBPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10-11(9-21-15-10)13(18)16-4-6-17(7-5-16)14(19)12-3-2-8-20-12/h2-3,8-9H,4-7H2,1H3.
What are the key properties of furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 305.36 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71689981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).