[4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C16H18BrN3O3S — CID 71703113

IUPAC[4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCC(C)c1sc(Br)nc1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H18BrN3O3S/c1-10(2)13-12(18-16(17)24-13)15(22)20-7-5-19(6-8-20)14(21)11-4-3-9-23-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeySFZMPBXDOFOZNV-UHFFFAOYSA-N
MW412.31 g/mol
LogP3.22
Rot. Bonds3

About [4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 71703113) has the molecular formula C16H18BrN3O3S and a molecular weight of 412.31 g/mol. Its IUPAC name is [4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID71703113
Molecular FormulaC16H18BrN3O3S
Molecular Weight412.31 g/mol
Exact Mass411.03
IUPAC Name[4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCC(C)c1sc(Br)nc1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H18BrN3O3S/c1-10(2)13-12(18-16(17)24-13)15(22)20-7-5-19(6-8-20)14(21)11-4-3-9-23-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeySFZMPBXDOFOZNV-UHFFFAOYSA-N
XLogP3.22
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone
CID 110801893
1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 37019192
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 16564266
[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911129
furan-2-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 110664567
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110798012
[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110854718
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 71827914

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 71703113) is [4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is CC(C)c1sc(Br)nc1C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is SFZMPBXDOFOZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3S/c1-10(2)13-12(18-16(17)24-13)15(22)20-7-5-19(6-8-20)14(21)11-4-3-9-23-11/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of [4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 412.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 71703113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).