3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide

C15H21N5O4S2 — CID 30085204

IUPAC3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H21N5O4S2/c1-10-13(12(3)24-17-10)26(22,23)18-11(2)14(21)19-5-7-20(8-6-19)15-16-4-9-25-15/h4,9,11,18H,5-8H2,1-3H3/t11-/m0/s1
InChIKeyLWURVNXNRHKGQM-NSHDSACASA-N
MW399.50 g/mol
LogP0.76
Rot. Bonds5

About 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide (PubChem CID 30085204) has the molecular formula C15H21N5O4S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide
PubChem CID30085204
Molecular FormulaC15H21N5O4S2
Molecular Weight399.50 g/mol
Exact Mass399.10
IUPAC Name3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H21N5O4S2/c1-10-13(12(3)24-17-10)26(22,23)18-11(2)14(21)19-5-7-20(8-6-19)15-16-4-9-25-15/h4,9,11,18H,5-8H2,1-3H3/t11-/m0/s1
InChIKeyLWURVNXNRHKGQM-NSHDSACASA-N
XLogP0.76
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide
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CID 119423221
3,5-dimethyl-N-[(2S)-1-[(4S)-4-methylazepan-1-yl]-1-oxopropan-2-yl]-1,2-oxazole-4-sulfonamide
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N-[(2S)-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55938383
3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 90621895
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120815178
4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
CID 51289843
2-amino-4-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 24708603
N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
CID 42932037
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
3,5-dimethyl-N-[(2S)-1-(3-methyl-2-phenylazetidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 102558465
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide (CID 30085204) is 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide?
The InChIKey is LWURVNXNRHKGQM-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O4S2/c1-10-13(12(3)24-17-10)26(22,23)18-11(2)14(21)19-5-7-20(8-6-19)15-16-4-9-25-15/h4,9,11,18H,5-8H2,1-3H3/t11-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide has a molecular weight of 399.50 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 30085204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).