4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one

C16H22N4O5S2 — CID 18284426

IUPAC4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1noc(C(C)C)c1C(=O)N1CCN(S(=O)(=O)c2sc(=O)[nH]c2C)CC1
InChIInChI=1S/C16H22N4O5S2/c1-9(2)13-12(10(3)18-25-13)14(21)19-5-7-20(8-6-19)27(23,24)15-11(4)17-16(22)26-15/h9H,5-8H2,1-4H3,(H,17,22)
InChIKeyVHDNHFWRNBHKDB-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.31
Rot. Bonds4

About 4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one

4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one (PubChem CID 18284426) has the molecular formula C16H22N4O5S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
PubChem CID18284426
Molecular FormulaC16H22N4O5S2
Molecular Weight414.51 g/mol
Exact Mass414.10
IUPAC Name4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1noc(C(C)C)c1C(=O)N1CCN(S(=O)(=O)c2sc(=O)[nH]c2C)CC1
InChIInChI=1S/C16H22N4O5S2/c1-9(2)13-12(10(3)18-25-13)14(21)19-5-7-20(8-6-19)27(23,24)15-11(4)17-16(22)26-15/h9H,5-8H2,1-4H3,(H,17,22)
InChIKeyVHDNHFWRNBHKDB-UHFFFAOYSA-N
XLogP1.31
TPSA116.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9326894
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 26261127
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 9156672
5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 18288944
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26312429
4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16615899
N-(4-fluorophenyl)-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazine-1-carboxamide
CID 37443505
4-methyl-5-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16962586
4-fluoro-N-[3-methyl-1-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide
CID 16623116
5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 16616013
5-(4-butan-2-ylpiperazin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 62775754
4-methyl-5-[4-[4-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16616036

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one (CID 18284426) is 4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one is Cc1noc(C(C)C)c1C(=O)N1CCN(S(=O)(=O)c2sc(=O)[nH]c2C)CC1.
What is the InChIKey of 4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?
The InChIKey is VHDNHFWRNBHKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5S2/c1-9(2)13-12(10(3)18-25-13)14(21)19-5-7-20(8-6-19)27(23,24)15-11(4)17-16(22)26-15/h9H,5-8H2,1-4H3,(H,17,22).
What are the key properties of 4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?
4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one has a molecular weight of 414.51 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 18284426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).