5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole

C12H19ClN2O2S2 — CID 62083644

IUPAC5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole
SMILESCC(C)(C)C1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C12H19ClN2O2S2/c1-12(2,3)9-4-6-15(7-5-9)19(16,17)10-8-14-11(13)18-10/h8-9H,4-7H2,1-3H3
InChIKeyHIGJXULUDHQHLX-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.24
Rot. Bonds2

About 5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole

5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole (PubChem CID 62083644) has the molecular formula C12H19ClN2O2S2 and a molecular weight of 322.88 g/mol. Its IUPAC name is 5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole
PubChem CID62083644
Molecular FormulaC12H19ClN2O2S2
Molecular Weight322.88 g/mol
Exact Mass322.06
IUPAC Name5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole
SMILESCC(C)(C)C1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C12H19ClN2O2S2/c1-12(2,3)9-4-6-15(7-5-9)19(16,17)10-8-14-11(13)18-10/h8-9H,4-7H2,1-3H3
InChIKeyHIGJXULUDHQHLX-UHFFFAOYSA-N
XLogP3.24
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole?
The IUPAC name of 5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole (CID 62083644) is 5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole.
What is the SMILES notation for 5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole?
The canonical SMILES for 5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole is CC(C)(C)C1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole?
The InChIKey is HIGJXULUDHQHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S2/c1-12(2,3)9-4-6-15(7-5-9)19(16,17)10-8-14-11(13)18-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole?
5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole has a molecular weight of 322.88 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylpiperidin-1-yl)sulfonyl-2-chloro-1,3-thiazole is sourced from PubChem (CID 62083644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).