4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

C17H26N4O3S2 — CID 30868654

IUPAC4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(Cc2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C17H26N4O3S2/c1-12-16(13(2)24-19-12)26(22,23)21-8-6-20(7-9-21)10-15-18-14(11-25-15)17(3,4)5/h11H,6-10H2,1-5H3
InChIKeyGQCMKJAKKDXZFS-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.55
Rot. Bonds4

About 4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (PubChem CID 30868654) has the molecular formula C17H26N4O3S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
PubChem CID30868654
Molecular FormulaC17H26N4O3S2
Molecular Weight398.55 g/mol
Exact Mass398.14
IUPAC Name4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(Cc2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C17H26N4O3S2/c1-12-16(13(2)24-19-12)26(22,23)21-8-6-20(7-9-21)10-15-18-14(11-25-15)17(3,4)5/h11H,6-10H2,1-5H3
InChIKeyGQCMKJAKKDXZFS-UHFFFAOYSA-N
XLogP2.55
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole (CID 30868654) is 4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of 4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
The InChIKey is GQCMKJAKKDXZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S2/c1-12-16(13(2)24-19-12)26(22,23)21-8-6-20(7-9-21)10-15-18-14(11-25-15)17(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole?
4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole has a molecular weight of 398.55 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 30868654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).